Crystallography Open Database
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Searching year of publication is 2016
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 1548618 | CIF | Al Ti | P m -3 m | 3.018; 3.018; 3.018 90; 90; 90 | 27.489 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 7038071 | CIF | S2 Sn | P -3 m 1 | 3.5074; 3.5074; 4.978 90; 90; 120 | 53.03 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038077 | CIF | S2 Sn | P -3 m 1 | 3.5272; 3.5272; 5.026 90; 90; 120 | 54.15 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038075 | CIF | S2 Sn | P -3 m 1 | 3.5343; 3.5343; 5.068 90; 90; 120 | 54.82 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038076 | CIF | S2 Sn | P -3 m 1 | 3.5362; 3.5362; 5.1 90; 90; 120 | 55.23 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038078 | CIF | S2 Sn | P -3 m 1 | 3.5388; 3.5388; 5.175 90; 90; 120 | 56.12 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038072 | CIF | S2 Sn | P -3 m 1 | 3.5455; 3.5455; 5.257 90; 90; 120 | 57.23 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038082 | CIF | S2 Sn | P -3 m 1 | 3.5605; 3.5605; 5.317 90; 90; 120 | 58.37 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038074 | CIF | S2 Sn | P -3 m 1 | 3.5766; 3.5766; 5.393 90; 90; 120 | 59.75 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 7038081 | CIF | S2 Sn | P -3 m 1 | 3.5983; 3.5983; 5.494 90; 90; 120 | 61.6 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107529 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9637; 3.9637; 3.9637 90; 90; 90 | 62.273 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107530 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9639; 3.9639; 3.9639 90; 90; 90 | 62.28 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107531 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9646; 3.9646; 3.9646 90; 90; 90 | 62.32 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107532 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9674; 3.9674; 3.9674 90; 90; 90 | 62.45 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 7038070 | CIF | S2 Sn | P -3 m 1 | 3.6067; 3.6067; 5.544 90; 90; 120 | 62.46 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107533 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9702; 3.9702; 3.9702 90; 90; 90 | 62.58 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107528 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9503; 3.9503; 4.0161 90; 90; 90 | 62.67 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107534 | CIF HKL | O3 Pb Ti | P m -3 m | 3.9734; 3.9734; 3.9734 90; 90; 90 | 62.73 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107527 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9474; 3.9474; 4.0263 90; 90; 90 | 62.74 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107526 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9435; 3.9435; 4.0401 90; 90; 90 | 62.83 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107525 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9339; 3.9339; 4.0683 90; 90; 90 | 62.96 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107524 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9211; 3.9211; 4.1025 90; 90; 90 | 63.076 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107521 | CIF HKL Paper | O3 Pb Ti | P 4 m m | 3.8992; 3.8992; 4.1499 90; 90; 90 | 63.094 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107523 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9117; 3.9117; 4.1243 90; 90; 90 | 63.108 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 2107522 | CIF HKL | O3 Pb Ti | P 4 m m | 3.9043; 3.9043; 4.1407 90; 90; 90 | 63.119 | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases Acta Crystallographica Section B, 2016, 72, 381-388 |
| 7038069 | CIF | S2 Sn | P -3 m 1 | 3.6215; 3.6215; 5.65 90; 90; 120 | 64.17 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 1561463 | CIF | Eu Nb O3 | P m -3 m | 4.02753; 4.02753; 4.02753 90; 90; 90 | 65.3306 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 7038080 | CIF | S2 Sn | P -3 m 1 | 3.6339; 3.6339; 5.7322 90; 90; 120 | 65.55 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 1545053 | CIF | Al Ti | P 4/m m m | 4.01867; 4.01867; 4.06542 90; 90; 90 | 65.655 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 7038073 | CIF | S2 Sn | P -3 m 1 | 3.639; 3.639; 5.7853 90; 90; 120 | 66.35 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2107445 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6047; 3.6047; 5.184 90; 90; 90 | 67.36 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107446 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6053; 3.6053; 5.1843 90; 90; 90 | 67.387 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107448 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6055; 3.6055; 5.1841 90; 90; 90 | 67.391 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107450 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6059; 3.6059; 5.1838 90; 90; 90 | 67.402 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107452 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.6062; 3.6062; 5.1841 90; 90; 90 | 67.418 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107454 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 42/n m c | 3.612; 3.612; 5.172 90; 90; 90 | 67.48 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 7038079 | CIF | S2 Sn | P -3 m 1 | 3.6456; 3.6456; 5.8934 90; 90; 120 | 67.832 | Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B. Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805 |
| 2300621 | CIF HKL | Co0.3 Fe0.7 Si | P 21 3 | 4.4732; 4.4732; 4.4732 90; 90; 90 | 89.507 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 1552017 | CIF | O2 Xe | P n m a | 3.5614; 5.7987; 4.4054 90; 90; 90 | 90.978 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2300619 | CIF HKL | Mn Si | P 21 3 | 4.5622; 4.5622; 4.5622 90; 90; 90 | 94.956 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 2300620 | CIF HKL | Mn Si | P 21 3 | 4.5662; 4.5662; 4.5662 90; 90; 90 | 95.206 | Dyadkin, Vadim; Wright, Jon; Pattison, Philip; Chernyshov, Dmitry Probing structural chirality with high-energy synchrotron radiation Journal of Applied Crystallography, 2016, 49, 918-922 |
| 1561384 | CIF | Ga Sm Sn2 | P m -3 m | 4.5778; 4.5778; 4.5778 90; 90; 90 | 95.93 | Tillard, Monique A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure Journal of Solid State Chemistry, 2016, 242, 63-70 |
| 1561530 | CIF | In K S4 Sn | P 6/m | 3.745; 3.745; 8.434 90; 90; 120 | 102.44 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 1561529 | CIF | In Na S4 Sn | P 6/m | 3.7273; 3.7273; 8.56 90; 90; 120 | 102.99 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 9017758 | CIF | Cu0.53 Fe0.47 Se2 | P n n m | 4.918; 6.001; 3.57 90; 90; 90 | 105.361 | Bindi, L.; Forster, H. J.; Grundmann, G.; Keutsch, F. N.; Stanley, C. J. Petricekite, CuSe2, a new member of the marcasite group from the Predborice Deposit, Central Bohemia Region, Czech Republic Minerals, 2016, 6 |
| 1544392 | CIF | D2.32 Mg2.45 O6 Si1.19 | R -3 m | 2.97065; 2.97065; 13.9033 90; 90; 120 | 106.256 | Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S. Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study Physics and Chemistry of Minerals, 2016, 43, 267-475 |
| 1544393 | CIF | D2.22 Mg2.28 O6 Si1.31 | R -3 m | 2.97065; 2.97065; 13.9033 90; 90; 120 | 106.256 | Tomioka, N.; Okuchi, T.; Purevjav, N.; Abe, J.; Harjo, S. Hydrogen sites in the dense hydrous magnesium silicate phase E: a pulsed neutron powder diffraction study :tilted O-D dipole model Physics and Chemistry of Minerals, 2016, 43, 267-475 |
| 1561387 | CIF | Al2 Pt3 Sr | P 6/m m m | 5.6629; 5.6629; 3.8939 90; 90; 120 | 108.142 | Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.; Fokwa, Boniface P.T.; Janka, Oliver Experimental and theoretical investigations of the polar intermetallics SrPt3Al2 and Sr2Pd2Al Journal of Solid State Chemistry, 2016, 242, 143-150 |
| 7040217 | CIF | Sn | I 41/a m d :2 | 5.8323; 5.8323; 3.1823 90; 90; 90 | 108.25 | Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D. Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9689-9694 |
| 1552018 | CIF | O3 Xe | P 21 21 21 | 7.6536; 3.2888; 4.5277 90; 90; 90 | 113.967 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2107540 | CIF HKL Paper | In1.95 S3 | P -3 m 1 | 3.86564; 3.86564; 9.1569 90; 90; 120 | 118.501 | Pistor, Paul; Merino Álvarez, Jose M.; León, Máximo; di Michiel, Marco; Schorr, Susan; Klenk, Reiner; Lehmann, Sebastian Structure reinvestigation of α-, β- and γ-In~2~S~3~ Acta Crystallographica Section B, 2016, 72, 410-415 |
| 4344741 | CIF | Mn O6 Pb Te | P -6 2 m | 5.10143; 5.10143; 5.39643 90; 90; 120 | 121.624 | Kim, Sun Woo; Deng, Zheng; Li, Man-Rong; Sen Gupta, Arnab; Akamatsu, Hirofumi; Gopalan, Venkatraman; Greenblatt, Martha PbMn(IV)TeO6: A New Noncentrosymmetric Layered Honeycomb Magnetic Oxide. Inorganic chemistry, 2016, 55, 1333-1338 |
| 1561490 | CIF | Ga3 Ta | I 4/m m m | 3.7695; 3.7695; 8.7271 90; 90; 90 | 124 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 1545054 | CIF | Al Ti3 | P 63/m m c | 5.76803; 5.76803; 4.64241 90; 90; 120 | 133.761 | Liss, Klaus-Dieter; Funakoshi, Ken-Ichi; Dippenaar, Rian; Higo, Yuji; Shiro, Ayumi; Reid, Mark; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi Hydrostatic Compression Behavior and High-Pressure Stabilized β-Phase in γ-Based Titanium Aluminide Intermetallics Metals, 2016, 6, 165 |
| 2241796 | CIF HKL Paper | F4 Nb | I 4/m m m | 4.0876; 4.0876; 8.1351 90; 90; 90 | 135.93 | Bandemehr, Jascha; Conrad, Matthias; Kraus, Florian Redetermination of the crystal structure of NbF~4~ Acta Crystallographica Section E, 2016, 72, 1211-1213 |
| 7224572 | CIF | Nb2.667 O8 Zn1.333 | P b c n | 4.7283; 5.7208; 5.0331 90; 90; 90 | 136.14 | Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6 CrystEngComm, 2016, 18, 2929 |
| 1552016 | CIF | O2 Xe3 | I m m m | 8.5363; 3.2173; 4.9636 90; 90; 90 | 136.32 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2107453 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1604; 5.2072; 5.3208 90; 98.822; 90 | 141.28 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107455 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1603; 5.2086; 5.3211 90; 98.912; 90 | 141.29 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107451 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1595; 5.2069; 5.3223 90; 98.78; 90 | 141.31 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107449 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.1623; 5.2052; 5.3229 90; 98.63; 90 | 141.41 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2107447 | CIF HKL Paper | Eu0.04 O1.98 Zr0.96 | P 1 21/c 1 | 5.164; 5.206; 5.325 90; 98.7; 90 | 141.51 | Marin, Riccardo; Sponchia, Gabriele; Back, Michele; Riello, Pietro Determining europium compositional fluctuations in partially stabilized zirconia nanopowders: a non-line-broadening-based method Acta Crystallographica Section B, 2016, 72 |
| 2311086 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory Acta Crystallographica Section A, 2016, 72, 206-214 |
| 7234885 | CIF | Cl Gd H2 O2 | P 1 21/m 1 | 6.18; 3.757; 6.734 90; 111.075; 90 | 145.9 | Yanyan Wang; Lei Qin; Guo-Jun Zhou; Xinxin Ye; Jiaqing He; Yan-Zhen Zheng High-performance low-temperature magnetic refrigerants made of gadolinium-hydroxy-chloride Journal of Materials Chemistry C, 2016, 4, 6473-6477 |
| 3500059 | CIF HKL | O4 Pd S | I 1 2/m 1 | 4.9466; 4.9481; 6.1943 90; 92.8096; 90 | 151.43 | Yvon Laligant; Armel Le Bail Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19) Personal communication to COD, 2016 |
| 4347866 | CIF | C H3 N3 Yb | P 63/m | 5.25963; 5.25963; 6.67042 90; 90; 120 | 159.806 | Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3. Inorganic chemistry, 2016, 55, 6161-6168 |
| 1561483 | CIF | Ga2 Ta3 | P 4/m b m | 6.8388; 6.8388; 3.4933 90; 90; 90 | 163.379 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 4124925 | CIF | As2 Ca Co1.87 | I 4/m m m | 3.9927; 3.9927; 10.3133 90; 90; 90 | 164.411 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4124924 | CIF | As2 Ca0.9 Co1.906 Eu0.1 | I 4/m m m | 3.9984; 3.9984; 10.3696 90; 90; 90 | 165.781 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4124926 | CIF | As2 Ca0.845 Co1.888 La0.155 | I 4/m m m | 4.0018; 4.0018; 10.3726 90; 90; 90 | 166.111 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4002659 | CIF | Al Li O2 | P 41 21 2 | 5.15885; 5.15885; 6.27 90; 90; 90 | 166.868 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 4002658 | CIF | Al Li O2 | P 41 21 2 | 5.1965; 5.1965; 6.3464 90; 90; 90 | 171.376 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 2107953 | CIF | Al0.1 Ba2 Ca0.08 Cu2.9 O6.89 Y0.92 | P 4/m m m | 3.8526; 3.8526; 11.666 90; 90; 90 | 173.15 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 2107952 | CIF Paper | Al0.16 Ba2 Ca0.05 Cu2.84 O6.75 Y0.95 | P 4/m m m | 3.8551; 3.8551; 11.6782 90; 90; 90 | 173.56 | Pascale, Lise; Truccato, Marco; Operti, Lorenza; Agostino, Angelo Effect of Al and Ca co-doping, in the presence of Te, in superconducting YBCO whiskers growth Acta Crystallographica Section B, 2016, 72, 702-708 |
| 7041112 | CIF | C2 H6 N10 O2 | P -1 | 4.7498; 5.8928; 6.7042 98.39; 90.89; 109.46 | 174.62 | Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 19045-19052 |
| 4130845 | CIF | C8 H6 O4 | P -1 | 5.0384; 5.3623; 7.006 71.993; 76.093; 87.198 | 174.67 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4130843 | CIF | C8 H6 O4 | P -1 | 5.0374; 5.3641; 7.0068 72.004; 76.098; 87.219 | 174.73 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4002660 | CIF | Al Li O2 | P 41 21 2 | 5.2252; 5.2252; 6.4038 90; 90; 90 | 174.841 | Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers Chemistry of Materials, 2016, 28, 915 |
| 7041111 | CIF | C2 H6 N10 O2 | P -1 | 4.751; 5.9102; 6.7024 98.682; 90.702; 109.077 | 175.44 | Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 19045-19052 |
| 1561564 | CIF | Ba Li2 Mn O8 V2 | P -3 | 5.2887; 5.2887; 7.3026 90; 90; 120 | 176.89 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 4124927 | CIF | As2 Co2 Eu | I 4/m m m | 3.929; 3.929; 11.512 90; 90; 90 | 177.71 | Tan, Xiaoyan; Fabbris, Gilberto; Haskel, Daniel; Yaroslavtsev, Alexander A.; Cao, Huibo; Thompson, Corey M.; Kovnir, Kirill; Menushenkov, Alexey P.; Chernikov, Roman V.; Garlea, V. Ovidiu; Shatruk, Michael A Transition from Localized to Strongly Correlated Electron Behavior and Mixed Valence Driven by Physical or Chemical Pressure in ACo2As2 (A = Eu and Ca). Journal of the American Chemical Society, 2016, 138, 2724-2731 |
| 4130844 | CIF | C8 H6 O4 | P -1 | 3.7793; 6.4791; 7.404 82.942; 81.006; 88.982 | 177.71 | Karothu, Durga Prasad; Weston, James; Desta, Israel Tilahun; Naumov, Panče Shape-Memory and Self-Healing Effects in Mechanosalient Molecular Crystals. Journal of the American Chemical Society, 2016, 138, 13298-13306 |
| 4344617 | CIF | Cu Ga3 Gd | I 4 m m | 4.119; 4.119; 10.5327 90; 90; 90 | 178.699 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344615 | CIF | Cu Ga3 Sm | I 4 m m | 4.1441; 4.1441; 10.5568 90; 90; 90 | 181.3 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344618 | CIF | Cu Ga3 Nd | I 4 m m | 4.1913; 4.1913; 10.409 90; 90; 90 | 182.85 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344614 | CIF | Cu Ga3 Nd | I 4 m m | 4.202; 4.202; 10.4151 90; 90; 90 | 183.9 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344613 | CIF | Cu Ga3 Pr | I 4 m m | 4.209; 4.209; 10.4885 90; 90; 90 | 185.811 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344619 | CIF | Cu Ga3 Nd | I 4 m m | 4.2194; 4.2194; 10.449 90; 90; 90 | 186.03 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4002641 | CIF | B2 H8 Mn | P -4 n 2 | 5.5526; 5.5526; 6.07271 90; 90; 90 | 187.23 | Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density Chemistry of Materials, 2016, 28, 274 |
| 1561370 | CIF | Cu0.25 In0.25 Se Zn0.5 | F -4 3 m | 5.73157; 5.73157; 5.73157 90; 90; 90 | 188.287 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 4344612 | CIF | Ce Cu Ga3 | I 4 m m | 4.2487; 4.2487; 10.4372 90; 90; 90 | 188.407 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 1561565 | CIF | Ba Co Na2 O8 V2 | P -3 m 1 | 5.5489; 5.5489; 7.0741 90; 90; 120 | 188.63 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 1561566 | CIF | Ba Fe Na2 O8 V2 | P -3 m 1 | 5.5731; 5.5731; 7.1034 90; 90; 120 | 191.07 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 4344611 | CIF | Cu Ga3 La | I 4 m m | 4.2837; 4.2837; 10.4482 90; 90; 90 | 191.725 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 4344616 | CIF | Cu Eu Ga3 | I 4 m m | 4.2589; 4.2589; 10.6898 90; 90; 90 | 193.894 | Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J.; Peter, Sebastian C. Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd). Inorganic chemistry, 2016, 55, 666-675 |
| 1561567 | CIF | Ba Mn Na2 O8 V2 | P -3 m 1 | 5.5921; 5.5921; 7.1628 90; 90; 120 | 193.98 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 7039298 | CIF | B8 Fe3 Ta7 | P 6/m m m | 8.2788; 8.2788; 3.2934 90; 90; 120 | 195.48 | Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A.; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9590-9600 |
| 7039297 | CIF | B8 Fe3 Nb7 | P 6/m m m | 8.3346; 8.3346; 3.2941 90; 90; 120 | 198.17 | Zheng, Qiang; Gumeniuk, Roman; Borrmann, Horst; Schnelle, Walter; Tsirlin, Alexander A.; Rosner, Helge; Burkhardt, Ulrich; Reissner, Michael; Grin, Yuri; Leithe-Jasper, Andreas Ternary borides Nb7Fe3B8 and Ta7Fe3B8 with Kagome-type iron framework. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9590-9600 |
| 2311689 | CIF Paper | Mo O3 | P m c n | 3.6961; 3.96122; 13.85331 90; 90; 90 | 202.827 | Sławiński, Wojciech A; Fjellvåg, Øystein S; Ruud, Amund; Fjellvåg, Helmer A novel polytype - the stacking fault based γ-MoO3 nanobelts. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 201-208 |
| 7226300 | CIF | Fe4.48 N2 S4 | I 4/m m m | 3.68795; 3.68795; 15.1134 90; 90; 90 | 205.557 | Lai, Xiaofang; Lin, Zhiping; Bu, Kejun; Wang, Xin; Zhang, Hui; Li, Dandan; Wang, Yingqi; Gu, Yuhao; Lin, Jianhua; Huang, Fu Qiang Ammonia and iron cointercalated iron sulfide (NH3)Fe0.25Fe2S2: hydrothermal synthesis, crystal structure, weak ferromagnetism and crossover from negative to positive magnetoresistance RSC Adv., 2016 |
| 4516751 | CIF | C H6 Br3 N Pb | P m -3 m | 5.9328; 5.9328; 5.9328 90; 90; 90 | 208.82 | Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. ACS central science, 2016, 2, 201-209 |
| 1544637 | CIF | As H O5 Zn2 | P -1 | 5.8438; 6.7226; 5.6566 104.348; 92.32; 76.683 | 209.47 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 1566652 | CIF | D2 O | P 61 2 2 | 6.32849; 6.32849; 6.05472 90; 90; 120 | 210.003 | del Rosso, L.; Grazzi, F.; Celli, M.; Colognesi, D.; Garcia-Sakai, V.; Ulivi, L. Refined structure of metastable ice XVII from neutron diffraction measurements The Journal of Physical Chemistry C, 2016, 120, 26955 |
| 2107508 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.4422; 4.13054; 4.449 90; 90; 90 | 210.271 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 1561563 | CIF | Ba K2 Mn O8 V2 | P -3 m 1 | 5.734; 5.734; 7.3859 90; 90; 120 | 210.3 | Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase Journal of Solid State Chemistry, 2016, 236, 61-68 |
| 7226950 | CIF | Li Mo O6 V | C 1 2/m 1 | 9.3531; 3.6477; 6.647 90; 111.643; 90 | 210.79 | Tao, Xutang; Wang, Zheng; Wu, Qian; Zhu, Min; Gao, Zeliang; Tian, Xiangxin; Xia, Sheng-Qing; sun, youxuan Top-seeded solution growth and Characterization of Raman crystal LiVMoO6 RSC Adv., 2016 |
| 2107509 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.46438; 4.13865; 4.44651 90; 90; 90 | 210.974 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2300622 | CIF HKL | Mn1.52 Ni2 Sn0.48 | P m m a | 8.6068; 5.6226; 4.3728 90; 90; 90 | 211.611 | Lin, Chunqing; Yan, Haile; Zhang, Yudong; Esling, Claude; Zhao, Xiang; Zuo, Liang Crystal structure of modulated martensite and crystallographic correlations between martensite variants of Ni~50~Mn~38~Sn~12~ alloy Journal of Applied Crystallography, 2016, 49, 1276-1283 |
| 2107510 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.48933; 4.14894; 4.44118 90; 90; 90 | 211.705 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107511 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.49417; 4.15096; 4.44175 90; 90; 90 | 211.924 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107512 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51746; 4.16192; 4.43267 90; 90; 90 | 212.479 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107513 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.51965; 4.16265; 4.43427 90; 90; 90 | 212.633 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 7119152 | CIF | C2 H6 Cd | P 42/m n m | 7.195; 7.195; 4.118 90; 90; 90 | 213.2 | Hanke, Felix; Hindley, Sarah; Jones, Anthony C.; Steiner, Alexander The solid state structures of the high and low temperature phases of dimethylcadmium Chemical Communications, 2016, 52, 10144 |
| 2107514 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.54547; 4.17619; 4.42402 90; 90; 90 | 213.309 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107515 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.57949; 4.19611; 4.40769 90; 90; 90 | 214.164 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107516 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.62; 4.22357; 4.38333 90; 90; 90 | 215.125 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107517 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.64398; 4.24224; 4.36522 90; 90; 90 | 215.627 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107518 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.67175; 4.26761; 4.33976 90; 90; 90 | 216.166 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107519 | CIF HKL Paper | Se Sn0.9816 | P n m a | 11.70577; 4.30722; 4.29911 90; 90; 90 | 216.758 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 2107520 | CIF HKL Paper | Se Sn0.9816 | C m c m | 4.29978; 11.71878; 4.31479 90; 90; 90 | 217.414 | Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo Crystal structure and phase transition of thermoelectric SnSe Acta Crystallographica Section B, 2016, 72, 310-316 |
| 4002657 | CIF | Al1.76 Na1.76 Sn4.24 | P 61 2 2 | 6.3984; 6.3984; 6.1529 90; 90; 120 | 218.149 | Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24) Chemistry of Materials, 2016, 28, 601 |
| 4002656 | CIF | Al1.62 Na1.62 Sn4.38 | P 61 2 2 | 6.405; 6.405; 6.1427 90; 90; 120 | 218.24 | Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24) Chemistry of Materials, 2016, 28, 601 |
| 2311337 | CIF | Bi0.857 Ca0.143 F0.143 La O0.857 S2 | P 4/n m m :2 | 4.0548; 4.0548; 13.37 90; 90; 90 | 219.82 | Huang, Rongtie; Zhang, Hui; Wang, Dong; Cai, Chuanbing; Huang, Fuqiang Crystal structure and magnetic properties of LaCa0.143 (4)O0.857 (4)F0.143 (4)Bi0.857 (4)S2. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 845-848 |
| 7040681 | CIF | As0.96 Fe2.72 Te2 | P 63/m m c | 3.85091; 3.85091; 17.1367 90; 90; 120 | 220.082 | Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V. New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16938-16947 |
| 7235026 | CIF | Cl3 Cu3 H6 O6 Y | P -3 m 1 | 6.7436; 6.7436; 5.6182 90; 90; 120 | 221.26 | Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state Journal of Materials Chemistry C, 2016, 4, 8772-8777 |
| 7235027 | CIF | Cl3 Cu3 H6 O6 Y | P -3 m 1 | 6.749; 6.749; 5.6244 90; 90; 120 | 221.86 | Wei Sun; Ya-Xi Huang; Sergiy Nokhrin; Yuanming Pan; Jin-Xiao Mi Perfect Kagome lattices in YCu3(OH)6Cl3: a new candidate for the quantum spin liquid state Journal of Materials Chemistry C, 2016, 4, 8772-8777 |
| 4002686 | CIF | Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 | I 4/m | 8.176483; 8.176483; 3.35754 90; 90; 90 | 224.468 | Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes Chemistry of Materials, 2016, 28, 6822-6825 |
| 7226342 | CIF | C10 H8 N4 | P -1 | 3.7762; 5.8688; 10.3157 90.165; 95.411; 99.256 | 224.59 | Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds CrystEngComm, 2016, 18, 8354 |
| 1566660 | CIF | D2 O | P 42/n m c :2 | 6.2446; 6.2446; 5.76203 90; 90; 90 | 224.691 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
| 1566650 | CIF | D2 O | P m m n :2 | 6.245; 6.242; 5.77577 90; 90; 90 | 225.15 | Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H. Partially ordered state of ice XV Scientific Reports, 2016, 6, 28920 |
| 1566649 | CIF | D2 O | P -1 | 6.23416; 6.21697; 5.83377 90.033; 89.922; 89.999 | 226.103 | Salzmann, C. G.; Slater, B.; Radaelli, P. G.; Finney, J. L.; Shephard, J. J.; Rosillo-Lopez, M.; Hindley, J. Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition The Journal of Chemical Physics, 2016, 145, 204501 |
| 7040680 | CIF | As0.96 Fe2.643 Te2 | P 63/m m c | 3.91052; 3.91052; 17.15815 90; 90; 120 | 227.232 | Verchenko, Valeriy Yu; Sokolov, Sergei S.; Tsirlin, Alexander A.; Sobolev, Alexey V.; Presniakov, Igor A.; Bykov, Mikhail A.; Kirsanova, Maria A.; Shevelkov, Andrei V. New Fe-based layered telluride Fe3-δAs1-yTe2: synthesis, crystal structure and physical properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16938-16947 |
| 4344991 | CIF | B3 Fe0.86 Rh5.12 Ru1.02 | P 63 m c | 7.4396; 7.4396; 4.742 90; 90; 120 | 227.3 | Shankhari, Pritam; Misse, Patrick R. N.; Mbarki, Mohammed; Park, Hyounmyung; Fokwa, Boniface P. T. Chemical Tuning of Magnetic Properties through Ru/Rh Substitution in Th7Fe3-type FeRh6-nRunB3 (n = 1-5) Series. Inorganic chemistry, 2016 |
| 1554026 | CIF | C H3 N3 O2 S | P -1 | 5.624; 5.9498; 7.6329 72.216; 70.897; 88.601 | 229 | Deng, Guohai; Li, Dingqing; Wu, Zhuang; Li, Hongmin; Bernhardt, Eduard; Zeng, Xiaoqing Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices. The journal of physical chemistry. A, 2016, 120, 5590-5597 |
| 2241637 | CIF HKL Paper | C5 H11 Na O8 S | P 1 | 4.8558; 5.8496; 8.795 76.517; 81.528; 71.392 | 229.51 | Haines, Alan H.; Hughes, David L. Crystal structure of sodium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate Acta Crystallographica Section E, 2016, 72, 628-631 |
| 7226343 | CIF | C10 H8 N4 | P -1 | 3.8373; 5.9282; 10.3247 90.671; 95.227; 100.693 | 229.73 | Hutchins, Kristin M.; Kummer, Katherine A.; Groeneman, Ryan H.; Reinheimer, Eric W.; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R. Thermal expansion properties of three isostructural co-crystals composed of isosteric components: interplay between halogen and hydrogen bonds CrystEngComm, 2016, 18, 8354 |
| 1561369 | CIF | Cu0.25 In0.25 Te Zn0.5 | F -4 3 m | 6.15203; 6.15203; 6.15203 90; 90; 90 | 232.839 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 7225889 | CIF | C7 H9 Cl N2 O4 | P 1 | 5.0265; 6.184; 8.1859 93.095; 102.264; 106.883 | 236.1 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 1561482 | CIF | Ga5.4 Ta1.6 | P 4/m b m | 9.3213; 9.3213; 2.7572 90; 90; 90 | 239.56 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 1562025 | CIF | Fe0.8 Mn3.2 O12 Pr4 | P n m a | 5.7594; 7.6443; 5.4602 90; 90; 90 | 240.39 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562027 | CIF | Fe0.4 Mn3.6 O12 Pr4 | P n m a | 5.7952; 7.6218; 5.4605 90; 90; 90 | 241.19 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562029 | CIF | Mn O3 Pr | P n m a | 5.8276; 7.5986; 5.4589 90; 90; 90 | 241.73 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562028 | CIF | Mn O3 Pr | P n m a | 5.592; 7.8818; 5.5627 90; 90; 90 | 245.18 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562026 | CIF | Fe0.4 Mn3.6 O12 Pr4 | P n m a | 5.5936; 7.8829; 5.5627 90; 90; 90 | 245.28 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 1562024 | CIF | Fe0.8 Mn3.2 O12 Pr4 | P n m a | 5.5947; 7.8851; 5.5634 90; 90; 90 | 245.43 | Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M. Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds Journal of Alloys and Compounds, 2016, 687, 652-661 |
| 7225287 | CIF | C H6 I3 N Pb | P m -3 m | 6.2723; 6.2723; 6.2723 90; 90; 90 | 246.76 | Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability CrystEngComm, 2016, 18, 5257 |
| 1552014 | CIF | O5 Xe2 | P 4/n c c :2 | 4.9826; 4.9826; 9.9548 90; 90; 90 | 247.141 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 2241454 | CIF HKL Paper | Cd Pt2 Sr2 | I m m m | 4.5596; 5.9351; 9.1874 90; 90; 90 | 248.63 | Nawawi, Effendi; Gulo, Fakhili; Köhler, Jürgen Crystal structure of Sr~2~CdPt~2~ containing linear platinum chains Acta Crystallographica Section E, 2016, 72, 144-146 |
| 1548468 | CIF | C H0.378 D5.622 I3 N Pb | P m -3 m | 6.30649; 6.30649; 6.30649 90; 90; 90 | 250.821 | P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide Scientific Reports, 2016, 6, 35685 |
| 7226508 | CIF | C H2 Cl Hg N5 | P 1 21 1 | 5.8459; 6.9731; 6.1725 90; 94.27; 90 | 250.92 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 7224729 | CIF | C10 H10 Br2 N2 | P -1 | 4.8011; 7.275; 7.759 71.06; 86.46; 78.64 | 251.3 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561368 | CIF | Cd0.5 Cu0.25 In0.25 Te | F -4 3 m | 6.34257; 6.34257; 6.34257 90; 90; 90 | 255.15 | Nolas, George S.; Hassan, M. Shafiq; Dong, Yongkwan; Martin, Joshua Synthesis, crystal structure and electrical properties of the tetrahedral quaternary chalcogenides CuM2InTe4 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 242, 50-54 |
| 1551317 | CIF | C7 H14 N O4 Re | R 3 m :R | 6.36; 6.36; 6.36 89.912; 89.912; 89.912 | 257.26 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
| 1561460 | CIF | Eu Nb O3 | I m m a | 5.67001; 8.01565; 5.68649 90; 90; 90 | 258.444 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1561461 | CIF | Eu Nb O3 | I m m a | 5.68182; 8.03133; 5.6921 90; 90; 90 | 259.745 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1561462 | CIF | Eu Nb O3 | I 4/m c m | 5.6869; 5.6869; 8.0514 90; 90; 90 | 260.389 | Kususe, Yoshiro; Yoshida, Suguru; Fujita, Koji; Akamatsu, Hirofumi; Fukuzumi, Masafumi; Murai, Shunsuke; Tanaka, Katsuhisa Structural phase transitions in EuNbO3 perovskite Journal of Solid State Chemistry, 2016, 239, 192-199 |
| 1551318 | CIF | C7 H14 N O4 Re | P m -3 m | 6.3881; 6.3881; 6.3881 90; 90; 90 | 260.68 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
| 1543917 | CIF | Ca2 Ge3 Pt | P 6/m m m | 8.452; 8.452; 4.2188 90; 90; 120 | 260.999 | Klimczuk, T.; Xie, Weiwei; Winiarski, M.J.; Koziol, R.; Litzbarski, L.S.; Luo, Huixia; Cava, R.J. Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides Journal of Solid State Chemistry, 2016, 243, 95-100 |
| 4513730 | CIF | C8 H16 Cl2 Cr O2 | P -1 | 3.9645; 7.2398; 9.2813 86.918; 79.841; 87.105 | 261.61 | Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M. Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties Crystal Growth & Design, 2016, 16, 189 |
| 1543916 | CIF | Ca2 Ge3 Pd | P 6/m m m | 8.4921; 8.4921; 4.1922 90; 90; 120 | 261.82 | Klimczuk, T.; Xie, Weiwei; Winiarski, M.J.; Koziol, R.; Litzbarski, L.S.; Luo, Huixia; Cava, R.J. Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides Journal of Solid State Chemistry, 2016, 243, 95-100 |
| 7224728 | CIF | C10 H10 Br2 N2 | P -1 | 4.845; 7.453; 7.875 70.89; 86.82; 77.82 | 262.6 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7224800 | CIF | C8 H6 Br4 | P -1 | 4.3542; 7.3675; 8.714 72.481; 83.722; 84.917 | 264.52 | Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G. Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations CrystEngComm, 2016, 18, 3142 |
| 3500057 | CIF | Al2 As2 Cs2 O9 | P -1 | 7.2333; 8.2043; 5.0263 107.246; 108.268; 95.195 | 264.92 | Lubomir Smrcok; Yvon Laligant; Armel Le Bail Cs2Al2As2O9 solved ab initio from X-ray powder diffraction data in 1998 Personal communication to COD, 2016 |
| 1561414 | CIF | Gd O4 P | P 1 21/n 1 | 6.24937; 6.7397; 6.5189 90; 103.563; 90 | 266.912 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 7119176 | CIF | Mn1.5 N O13 V4 | P 1 2/m 1 | 8.2011; 3.5207; 9.9129 90; 110.987; 90 | 267.234 | Martin K. Dufficy; Lan Luo; Peter S. Fedkiw; Paul A. Maggard Vacancy-induced manganese vanadates and their potential application to Li-ion batteries Chem.Commun., 2016, 52, 7509 |
| 2107637 | CIF Paper | In Mo4 O6 | P 4/m b m | 9.6664; 9.6664; 2.8645 90; 90; 90 | 267.66 | Schultz, Peter; Simon, Arndt; Oeckler, Oliver Modulated crystal structure of InMo~4~O~6~ Acta Crystallographica Section B, 2016, 72, 642-649 |
| 1561413 | CIF | Gd O4 P | P 1 21/n 1 | 6.2683; 6.7632; 6.5466 90; 103.672; 90 | 269.671 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 7224727 | CIF | C10 H10 Br2 N2 | P -1 | 4.874; 7.567; 7.936 70.73; 86.64; 77.47 | 269.7 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561485 | CIF | Ga3 O1.5 Ta5 | P 63/m c m | 7.7023; 7.7023; 5.3062 90; 90; 120 | 272.62 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 7223287 | CIF | C13 H7 F4 N O | P 1 | 4.6457; 5.0544; 11.8597 100.967; 92.076; 92.987 | 272.72 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7224726 | CIF | C10 H10 Br2 N2 | P -1 | 4.8839; 7.622; 7.951 70.87; 86.78; 77.39 | 272.8 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1561412 | CIF | Gd O4 P | P 1 21/n 1 | 6.2979; 6.80019; 6.5923 90; 103.833; 90 | 274.139 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 3500060 | CIF | As2 H8 Na O14 V2 | P -1 | 6.428; 6.4306; 6.9534 91.823; 107.035; 90.076 | 274.66 | Armel Le Bail Na(VO)2(AsO4)2(H20)4 isostructural with the phosphate Na(VO)2(PO4)2(H20)4 Personal communication to COD, 2016 |
| 7224725 | CIF | C10 H10 Br2 N2 | P -1 | 4.8986; 7.6614; 7.989 70.464; 87.005; 77.176 | 275.44 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 7702107 | CIF | C4 H10 Cl3 Nb O S2 | P 1 | 6.7898; 6.9745; 7.2523 108.917; 99.404; 113.677 | 279.93 | Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16262-16274 |
| 1561411 | CIF | Gd O4 P | P 1 21/n 1 | 6.33571; 6.8484; 6.6516 90; 104.023; 90 | 280.008 | Heffernan, Karina M.; Ross, Nancy L.; Spencer, Elinor C.; Boatner, Lynn A. The structural response of gadolinium phosphate to pressure Journal of Solid State Chemistry, 2016, 241, 180-186 |
| 1547817 | CIF | Cr O4 Sr | P 1 21/n 1 | 6.68; 6.881; 6.118 90; 92.33; 90 | 280.982 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 4347867 | CIF | H4 N2 Yb | I 41/a m d :1 | 5.19598; 5.19598; 10.4129 90; 90; 90 | 281.13 | Görne, Arno L; George, Janine; van Leusen, Jan; Dück, Gerald; Jacobs, Philipp; Chogondahalli Muniraju, Naveen Kumar; Dronskowski, Richard Ammonothermal Synthesis, Crystal Structure, and Properties of the Ytterbium(II) and Ytterbium(III) Amides and the First Two Rare-Earth-Metal Guanidinates, YbC(NH)3 and Yb(CN3H4)3. Inorganic chemistry, 2016, 55, 6161-6168 |
| 7226352 | CIF | Co Li O4 P | P n m a | 10.1852; 5.9114; 4.6913 90; 90; 90 | 282.46 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 1543899 | CIF | Cr2 Cu O4 | I 41/a m d :2 | 6.0287; 6.0287; 7.7803 90; 90; 90 | 282.777 | Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ IUCrJ, 2016, 3 |
| 7226350 | CIF | Co Li O4 P | P n m a | 10.193; 5.9188; 4.6959 90; 90; 90 | 283.31 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 7226351 | CIF | Co Li O4 P | P n m a | 10.1931; 5.9195; 4.6961 90; 90; 90 | 283.35 | Ludwig, Jennifer; Marino, Cyril; Haering, Dominik; Stinner, Christoph; Nordlund, Dennis; Doeff, Marca; Gasteiger, Hubert A.; Nilges, Tom Facile, ethylene glycol-promoted microwave-assisted solvothermal synthesis of high-performance LiCoPO4as a high-voltage cathode material for lithium-ion batteries RSC Adv., 2016 |
| 2241733 | CIF HKL Paper | Ge Li2 Mo3 O8 | P 63 m c | 5.7268; 5.7268; 9.9841 90; 90; 120 | 283.57 | Gall, Philippe; Gougeon, Patrick Li~2~GeMo~3~O~8~: a novel reduced molybdenum oxide containing Mo~3~O~13~ cluster units Acta Crystallographica Section E, 2016, 72, 995-997 |
| 2020465 | CIF HKL | C5 H6 N2 O3 | P -1 | 4.874; 7.663; 8.325 66.97; 88.09; 87.07 | 285.7 | Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C, 2016, 72, 379-388 |
| 1561620 | CIF | Se8 U Yb3 | P b c m | 6.9937; 7.4807; 5.4967 90; 90; 90 | 287.575 | Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A. Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8 Journal of Solid State Chemistry, 2016, 233, 90-94 |
| 1561619 | CIF | Er3 Se8 U | P b c m | 7.036; 7.5483; 5.4672 90; 90; 90 | 290.362 | Prakash, Jai; Mesbah, Adel; Beard, Jessica C.; Malliakas, Christos D.; Ibers, James A. Syntheses, crystal structures, and resistivities of the two new ternary uranium selenides, Er3USe8 and Yb3USe8 Journal of Solid State Chemistry, 2016, 233, 90-94 |
| 1561531 | CIF | In K S4 Sn | R -3 m :H | 3.698; 3.698; 24.52 90; 90; 120 | 290.4 | Yohannan, Jinu P.; Vidyasagar, Kanamaluru Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds Journal of Solid State Chemistry, 2016, 238, 291-302 |
| 7039283 | CIF | C6 D12 N2 Pd S4 | P -1 | 6.4754; 7.0391; 7.6797 65.235; 67.183; 84.974 | 291.81 | Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10883-10886 |
| 7039284 | CIF | C6 H12 N2 Pd S4 | P -1 | 6.482; 7.034; 7.68 65.47; 66.92; 84.65 | 292.05 | Poirier, Stéphanie; Tailleur, Elodie; Lynn, Hudson; Reber, Christian Characterization of PdH-C interactions in bis-dimethyldithiocarbamate palladium(ii) and its deuterated analog by luminescence spectroscopy at variable pressure. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10883-10886 |
| 2020661 | CIF | H0.5 K1.5 Mg2 O7 Si2 | P 63/m c m | 5.0535; 5.0535; 13.2229 90; 90; 120 | 292.44 | Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B, 2016, 72, 822-827 |
| 1547818 | CIF | Cr O4 Sr | I 41/a :2 | 4.97; 4.97; 11.844 90; 90; 90 | 292.557 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 7236330 | CIF | C4 H8 N10 O8 | P -1 | 5.7692; 7.321; 8.4065 64.804; 87.429; 67.479 | 293.79 | He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts Journal of Materials Chemistry A, 2016, 4, 8969 |
| 7041329 | CIF | C4 H2 Gd O6 | P -1 | 6.874; 6.987; 7.449 86.725; 64.422; 67.814 | 296.4 | Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects. Dalton transactions (Cambridge, England : 2003), 2016, 46, 64-70 |
| 2311093 | CIF | Hf Na2 O7 Si2 | P -1 | 6.6123; 8.7948; 5.41074 92.603; 94.0843; 71.3262 | 297.249 | Massoni, Nicolas; Pierrick, Chevreux Crystal structure of Na~2~HfSi~2~O~7~ by Rietveld refinement Acta Crystallographica, Section e, 2016, 72, 1434 |
| 1561383 | CIF | Ca Ga1.14 Sn0.86 | P 63/m m c | 4.4233; 4.4233; 17.601 90; 90; 120 | 298.24 | Tillard, Monique A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca4Ga4+xSn4−x and SmGaxSn3−x, stability, geometry and electronic structure Journal of Solid State Chemistry, 2016, 242, 63-70 |
| 1561543 | CIF | Cl Mo Na3 O4 | P 4/n m m :2 | 7.4942; 7.4942; 5.3409 90; 90; 90 | 299.96 | Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo) Journal of Solid State Chemistry, 2016, 237, 14-18 |
| 8106868 | CIF | C10 H10 Br2 N2 Pd | P -1 | 5.6549; 7.021; 7.7723 80.031; 84.601; 89.222 | 302.58 | Ha, Kwang Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 333-334 |
| 1561544 | CIF | Cl Na3 O4 W | P 4/n m m :2 | 7.5181; 7.5181; 5.36 90; 90; 90 | 302.96 | Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo) Journal of Solid State Chemistry, 2016, 237, 14-18 |
| 3500037 | CIF HKL | C4 H5 Na O6 | P 1 21 1 | 5.2467; 7.783; 7.582 90; 101.39; 90 | 303.5 | Armel Le Bail Personal communication to COD, 2016 |
| 7225355 | CIF | C12 H10 O4 S2 | P -1 | 3.9254; 6.0049; 13.818 77.96; 88.838; 72.527 | 303.54 | Muthumari, Subramanian; Ramesh, Rengan Highly efficient palladium(ii) hydrazone based catalysts for the Suzuki coupling reaction in aqueous medium RSC Adv., 2016, 6, 52101 |
| 7223858 | CIF | C6 H4 F8 N2 O6 | P -1 | 5.1438; 6.2912; 9.9448 91.605; 104.35; 101.944 | 303.96 | Dharavath, Srinivas; Ghule, Vikas Synthesis of Nitrate Ester and Nitramine Derivatives of Polyfluoro Alkyl Compounds for High Energy Materials RSC Adv., 2016 |
| 1542919 | CIF HKL | B3 Ba2.76 Eu0.24 O15 P3 | P 31 2 1 | 7.104645; 7.104645; 6.986941 90; 90; 120 | 305.424 | Lina Zhang; Minghao Fang; Zhaohui Huang; Yangai Liu; Xin Min; Hao Tang; Kai Chen; Ming Guan; Maxim S. Molokeev Preparation and Luminescence Properties of the Blue-Emitting Phosphor BaBPO5:Eu2+ Science of Advanced Materials, 2016, 8, 1086-1092 |
| 4125021 | CIF | O14 P2 Sr3 Te Zn3 | P 3 2 1 | 8.2767; 8.2767; 5.1763 90; 90; 120 | 307.09 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1542970 | CIF | C14 H8 Br2 F2 | P -1 | 4.037; 5.968; 13.092 79.09; 87.09; 85.96 | 308.7 | Zhang, Weifeng; Shi, Keli; Huang, Jianyao; Gao, Dong; Mao, Zupan; Li, Dizao; Yu, Gui Fluorodiphenylethene-Containing Donor‒Acceptor Conjugated Copolymers with Noncovalent Conformational Locks for Efficient Polymer Field-Effect Transistors Macromolecules, 2016, 49, 2582 |
| 4347557 | CIF | C10 H10 F6 N2 O2 | P -1 | 5.7104; 7.3062; 8.2087 109.754; 101.386; 97.169 | 309.1 | Schläfer, J; Graf, D.; Fornalczyk, G.; Mettenbörger, A; Mathur, S. Fluorinated Cerium(IV) Enaminolates: Alternative Precursors for Chemical Vapor Deposition of CeO2 Thin Films. Inorganic chemistry, 2016, 55, 5422-5429 |
| 7224088 | CIF | C8 H14 Ni O12 | P -1 | 5.142; 7.2793; 9.1121 108.025; 105.191; 92.14 | 310.38 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7038117 | CIF | Bi0.97 Mo0.07 O4 V0.93 | I 1 2/a 1 | 5.1153; 11.7022; 5.1878 90; 90.244; 90 | 310.54 | Terebilenko, Kateryna V.; Bychkov, Konstantin L.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Pavliuk, Mariia V.; Thapper, Anders; Tokmenko, Inna I.; Nasieka, Iurii M.; Strelchuk, Viktor V. Structural transformation of Bi1-x/3V1-xMoxO4 solid solutions for light-driven water oxidation. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3895-3904 |
| 1547277 | CIF | Fe5.94 Mg1.06 O9 | C 1 2/m 1 | 9.6901; 2.8943; 11.4397 90; 102.045; 90 | 313.77 | Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852 |
| 7224089 | CIF | C8 H14 Co O12 | P -1 | 5.1742; 7.2742; 9.2053 108.809; 105.003; 92.409 | 313.79 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7224087 | CIF | C8 H14 O12 Zn | P -1 | 5.1749; 7.2736; 9.1901 108.304; 105.213; 92.434 | 313.95 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 1547276 | CIF | Fe7 O9 | C 1 2/m 1 | 9.696; 2.8947; 11.428 90; 101.69; 90 | 314.1 | Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure Scientific Reports, 2016, 6, 32852 |
| 2020507 | CIF HKL Paper | C6 H9 N3 O | P -1 | 6.613; 7.018; 7.078 97.374; 104.521; 92.038 | 314.6 | Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A. Two tautomeric forms of 2-amino-5,6-dimethylpyrimidin-4-one Acta Crystallographica Section C, 2016, 72 |
| 7040528 | CIF | Ca1.33 Er0.07 La0.67 Mo4 Na1.33 O16 Yb0.6 | I 41/a :2 | 5.242071; 5.242071; 11.46775 90; 90; 90 | 315.126 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 2020535 | CIF HKL | B Ge2 Li4 | R 3 m :H | 4.4603; 4.4603; 18.3197 90; 90; 120 | 315.63 | Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types Acta Crystallographica Section C, 2016, 72, 561-565 |
| 4125023 | CIF | O14 P2 Pb3 Te Zn3 | P 3 2 1 | 8.3831; 8.3831; 5.193 90; 90; 120 | 316.05 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 4125025 | CIF | O14 P2 Pb3 W Zn3 | P 3 2 1 | 8.4151; 8.4151; 5.17 90; 90; 120 | 317.06 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1561426 | CIF | Mo Na0.49 O4 Sm0.51 | I 41/a :2 | 5.256; 5.256; 11.4921 90; 90; 90 | 317.48 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 4348074 | CIF | C F3 N O3 P Zr | P -1 | 5.41026; 5.79443; 10.36215 87.4743; 78.4408; 89.2386 | 317.946 | Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization. Inorganic chemistry, 2016, 55, 6278-6285 |
| 7224090 | CIF | C8 H14 Fe O12 | P -1 | 5.2115; 7.3307; 9.2529 109.019; 105.339; 92.53 | 318.98 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 4125024 | CIF | Mg3 O14 P2 Pb3 Te | P 3 2 1 | 8.4072; 8.4072; 5.2158 90; 90; 120 | 319.27 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1542454 | CIF HKL Paper | C6 H6 Br N | P 1 21/m 1 | 6.1889; 6.614; 7.835 90; 93.503; 90 | 320.11 | Roy, Mrittika; Golen, James A.; Manke, David R. 2-Bromo-5-methylpyridine IUCrData, 2016, 1, x160090 |
| 7040530 | CIF | Ca1.33 Er0.13 La0.93 Mo4 Na1.33 O16 Yb0.27 | I 41/a :2 | 5.26749; 5.26749; 11.53772 90; 90; 90 | 320.131 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 7039066 | CIF | C2 H4 As F6 N | P 1 21 1 | 5.2169; 6.5905; 9.3342 90; 92.267; 90 | 320.68 | Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O. Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8494-8499 |
| 1544461 | CIF | Ce Li O8 W2 | I 41/a | 5.294; 5.294; 11.498 90; 90; 90 | 322.2 | Shimemura, T.; Sawaguchi, N.; Sasaki, M. Synthesis and emission properties of scheelite-type LiCe(WO4)2 Journal of the Ceramic Society of Japan, 2016, 124, 938-942 |
| 7040531 | CIF | Ca1.33 Er0.27 La1.07 Mo4 Na1.33 O16 | I 41/a :2 | 5.28062; 5.28062; 11.57258 90; 90; 90 | 322.701 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 1561427 | CIF | Eu0.6 Mo Na0.4 O4 | I 41/a :2 | 5.2797; 5.2797; 11.5869 90; 90; 90 | 322.99 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 1561425 | CIF | Mo Na0.5 Nd0.5 O4 | I 41/a :2 | 5.2854; 5.2854; 11.5675 90; 90; 90 | 323.14 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 9017354 | CIF | Ca0.968 H4 O8 V1.885 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.359 | Kobsch, A.; Downs, R. T.; Domanik, K. J. Redetermination of metarossite, CaV5+2O6*2H2O Acta Crystallographica, Section E, 2016, 72, 1280-1284 |
| 2241808 | CIF HKL Paper | Ca H4 O8 V2 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.36 | Kobsch, Anaïs; Downs, Robert T.; Domanik, Kenneth J. Redetermination of metarossite, CaV^5+^~2~O~6~·2H~2~O Acta Crystallographica Section E, 2016, 72, 1280-1284 |
| 4130071 | CIF | C H6 Br N6 | P 63/m | 7.7196; 7.7196; 6.2784 90; 90; 120 | 324.02 | Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs). Journal of the American Chemical Society, 2016, 138, 2823-2828 |
| 7041328 | CIF | C4 H4 Gd O7 | P -1 | 6.831; 7.534; 7.812 98.063; 113.748; 110.792 | 324.6 | Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects. Dalton transactions (Cambridge, England : 2003), 2016, 46, 64-70 |
| 7040795 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.0794; 8.6924; 7.7046 90; 107.338; 90 | 324.72 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7224581 | CIF | C15 H18 N O3 | P 1 | 5.937; 5.9425; 10.0505 105.428; 101.284; 99.757 | 325.87 | Zhang, Ya-Fei; Yin, Shao-Jie; Zhao, Min; Zhang, Jun-Qi; Li, Hai-Yan; Wang, Xingwang Dinuclear Zinc Catalyzed Desymmetric Intramolecular Aldolization: An Enantioselective Construction of Spiro[Cyclohexanone-Oxindole] Derivatives RSC Adv., 2016 |
| 7226951 | CIF | C14 H18 O4 Pd | P -1 | 7.2285; 7.6427; 7.6586 62.479; 67.121; 63.114 | 325.9 | Assim, K.; Melzer, M.; Korb, M.; Rüffer, T.; Jakob, A.; Noll, J.; Georgi, C.; Schulz, S. E.; Lang, H. Bis(β-diketonato)- and allyl-(β-diketonato)-palladium(ii) complexes: synthesis, characterization and MOCVD application RSC Adv., 2016, 6, 102557 |
| 1561424 | CIF | Mo Na0.5 O4 Pr0.5 | I 41/a :2 | 5.3009; 5.3009; 11.6089 90; 90; 90 | 326.2 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 7040529 | CIF | Ca1.33 La1.33 Mo4 Na1.33 O16 | I 41/a :2 | 5.29916; 5.29916; 11.62227 90; 90; 90 | 326.366 | Lim, Chang Sung; Aleksandrovsky, Aleksandr S.; Molokeev, Maxim S.; Oreshonkov, Aleksandr S.; Ikonnikov, Denis A.; Atuchin, Victor V. Triple molybdate scheelite-type upconversion phosphor NaCaLa(MoO4)3:Er(3+)/Yb(3+): structural and spectroscopic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15541-15551 |
| 7224091 | CIF | C8 H14 Mn O12 | P -1 | 5.2823; 7.3398; 9.3651 109.765; 105.152; 92.454 | 326.37 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7040794 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.1849; 7.2517; 8.875 90; 100.857; 90 | 327.72 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040798 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.101; 8.673; 7.747 90; 106.933; 90 | 327.9 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 4348578 | CIF | C3 H9 B F3 P | P 1 21/m 1 | 5.838; 9.17; 6.675 90; 113.359; 90 | 328.1 | Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S. Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands. Inorganic chemistry, 2016, 55, 8852-8864 |
| 4125022 | CIF | Ba3 O14 P2 Te Zn3 | P 3 2 1 | 8.4744; 8.4744; 5.2818 90; 90; 120 | 328.5 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 7040797 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.113; 8.672; 7.753 90; 106.996; 90 | 328.8 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040800 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.108; 8.677; 7.755 90; 106.812; 90 | 329 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7040799 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.11; 8.6803; 7.748 90; 106.73; 90 | 329.1 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 1544330 | CIF HKL | Ho0.07 La0.67 Na1.33 O16 Sr1.33 W4 Yb0.6 | I 41/a :2 | 5.3257; 5.3257; 11.62354 90; 90; 90 | 329.679 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1561423 | CIF | Ce0.51 Mo Na0.49 O4 | I 41/a :2 | 5.3173; 5.3173; 11.6652 90; 90; 90 | 329.82 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 7040796 | CIF | C4 H6 Cu O6 | P 1 21/n 1 | 5.201; 7.356; 8.839 90; 101.169; 90 | 331.8 | Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Fujisawa, Takumi; Yamaguchi, Akira; Sumiyama, Akihiko; Shuku, Yoshiaki; Aoyagi, Shinobu; Fujita, Wataru Deuterium substitution effects on the structural and magnetic phase transitions of a hydrogen-bonded coordination polymer, bis(glycolato)copper(ii). Dalton transactions (Cambridge, England : 2003), 2016, 45, 16774-16778 |
| 7226833 | CIF | C3 H7 N Ni O6 | P 1 21 1 | 6.306; 8.0599; 7.25 90; 115.6; 90 | 332.3 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 2020389 | CIF HKL | C12 H14 Br2 N2 | P -1 | 5.7608; 6.4257; 9.6848 80.7074; 81.2351; 70.8554 | 332.33 | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K. Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide Acta Crystallographica Section C, 2016, 72 |
| 4125026 | CIF | O14 Pb3 Te V2 Zn3 | P 3 2 1 | 8.608; 8.608; 5.186 90; 90; 120 | 332.8 | Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family. Journal of the American Chemical Society, 2016, 138, 4984-4989 |
| 1544329 | CIF HKL | Ho0.13 La0.93 Na1.33 O16 Sr1.33 W4 Yb0.27 | I 41/a :2 | 5.34372; 5.34372; 11.67359 90; 90; 90 | 333.343 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1561422 | CIF | La0.52 Mo Na0.48 O4 | I 41/a :2 | 5.3414; 5.3414; 11.7393 90; 90; 90 | 334.93 | Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.; zur Loye, Hans-Conrad Single crystal growth and characterization of NaxLn1−xMoO4, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397‒0.499) Journal of Solid State Chemistry, 2016, 240, 76-81 |
| 1544328 | CIF HKL | Ho0.27 La1.07 Na1.33 O16 Sr1.33 W4 | I 41/a :2 | 5.360174; 5.360174; 11.71105 90; 90; 90 | 336.476 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 7224709 | CIF | C12 H10 Cd O6 P2 | P -1 | 16.1586; 5.60337; 4.46652 119.604; 94.4432; 101.789 | 336.56 | Wilke, Manuel; Batzdorf, Lisa; Fischer, Franziska; Rademann, Klaus; Emmerling, Franziska Cadmium phenylphosphonates: preparation, characterisation and in situ investigation RSC Adv., 2016 |
| 7055713 | CIF | B Gd3 O3 S3 | P -1 | 3.9725; 7.5945; 11.1824 91.402; 91.093; 90.206 | 337.2 | Chi, Yang; Guo, Sheng-Ping; Kong, Hong-Jian; Xue, Huai-Guo Crystal and electronic structures, and optical and magnetic properties of novel rare-earth sulfide borates RE3S3BO3(RE = Sm, Gd) New J. Chem., 2016, 40, 6720 |
| 7118967 | CIF | C7 H3 Cl F2 O | P -1 | 6.859; 7.2006; 8.0365 94.613; 104.275; 115.906 | 337.85 | Dhananjay Dey; Subhrajyoti Bhandary; Abhishek Sirohiwal; Venkatesha R. Hathwar; Deepak Chopra 'Conformational lock' via unusual intramolecular C-F^...^O[double bond, length as m-dash]C and C-H^...^Cl-C parallel dipoles observed in in situ cryocrystallized liquids Chem.Commun., 2016, 52, 7225 |
| 1545547 | CIF | Bi2 O3 | P -4 21 c | 7.7299; 7.7299; 5.6587 90; 90; 90 | 338.115 | Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M. Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph Scientific Reports, 2016, 6, 39561-39561 |
| 1542920 | CIF HKL | B4 Mn5.64 Ni6.36 O20 | P b a m | 9.1757; 12.3163; 2.9978 90; 90; 90 | 338.78 | Moshkina Evgeniya; Sofronova Svetlana; Veligzhanin Alexey; Molokeev Maxim; Nazarenko Ilya; Eremin Evgeniy; Bezmaternykh Leonard Magnetism and Structure of Ni2MnBO5 ludwigite Journal of Magnetism and Magnetic Materials, 2016, 402, 69-75 |
| 4348338 | CIF | C4 H6 O4 Pb | P 1 21/m 1 | 4.792; 7.148; 10.058 90; 99.48; 90 | 339.81 | Martínez-Casado, Francisco J; Ramos-Riesco, Miguel; Rodríguez-Cheda, José A; Cucinotta, Fabio; Matesanz, Emilio; Miletto, Ivana; Gianotti, Enrica; Marchese, Leonardo; Matěj, Zdeněk Unraveling the Decomposition Process of Lead(II) Acetate: Anhydrous Polymorphs, Hydrates, and Byproducts and Room Temperature Phosphorescence. Inorganic chemistry, 2016, 55, 8576-8586 |
| 7039324 | CIF | C3 H3 I N4 O2 | P -1 | 7.0649; 7.2001; 7.8953 70.362; 64.462; 86.027 | 339.95 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 1544327 | CIF HKL | La1.33 Na1.33 O16 Sr1.33 W4 | I 41/a :2 | 5.37783; 5.37783; 11.75716 90; 90; 90 | 340.029 | Lim, Chang Sung; Atuchin, Victor; Aleksandrovsky, Aleksandr; Molokeev, Maxim Preparation of NaSrLa1-x(WO4)3:Ho3+/Yb3+ ternary tungstates and their upconversion photoluminescence properties Materials Letters, 2016, 181, 38-41 |
| 1547819 | CIF | Cr O4 Sr | P 1 21/n 1 | 7.065; 7.376; 6.741 90; 103.1; 90 | 342.141 | Gleissner, J.; Errandonea, D. Monazite-type SrCrO4 under compression Phys. Rev B, 2016, 94, 134108-134108 |
| 7039788 | CIF | Ba5 Nb4 O15 | P -3 m 1 | 5.7946; 5.7946; 11.7876 90; 90; 120 | 342.77 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039792 | CIF | Ba5 O15 Ta4 | P -3 m 1 | 5.7892; 5.7892; 11.8202 90; 90; 120 | 343.078 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039789 | CIF | Ba5 Nb3 O15 Ta | P -3 m 1 | 5.79575; 5.79575; 11.7965 90; 90; 120 | 343.165 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039790 | CIF | Ba5 Nb2 O15 Ta2 | P -3 m 1 | 5.7947; 5.7947; 11.803 90; 90; 120 | 343.23 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7039791 | CIF | Ba5 Nb O15 Ta3 | P -3 m 1 | 5.79455; 5.79455; 11.8158 90; 90; 120 | 343.584 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Zahedi, Ehsan; Wagata, Hajime; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Domen, Kazunari; Teshima, Katsuya The contrasting effect of the Ta/Nb ratio in (111)-layered B-site deficient hexagonal perovskite Ba5Nb4-xTaxO15 crystals on visible-light-induced photocatalytic water oxidation activity of their oxynitride derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12559-12568 |
| 7055443 | CIF | Al4.68 B8 La2 O22 | P -6 2 m | 4.6149; 4.6149; 18.72 90; 90; 120 | 345.27 | Guo, Shu; Liu, Lijuan; Xia, Mingjun; Wang, Xiaoyang; Bai, Lei; Xu, Bo; Huang, Qian; Chen, Chuangtian Crystal growth, structure and optical properties of a new acentric crystal La2Al4.68B8O22with a short UV absorption edge New J. Chem., 2016, 40, 4870 |
| 4344555 | CIF | Ca2 N O3 P | P n m a | 6.7954; 5.4395; 9.4167 90; 90; 90 | 348.07 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 1544460 | CIF | Al7.61 N6.39 O2.61 Si0.39 | P 63/m m c | 3.05831; 3.05831; 42.9942 90; 90; 120 | 348.26 | Nishimine, H.; Suzuki, Y.; Banno, H.; Asaka, T.; Fukuda, K. Disordered crystal structure of 16H-SiAlON, Si3-xAl5+xOxN9-x (x~2.6) Journal of the Ceramic Society of Japan, 2016, 124, 875-880 |
| 9017709 | CIF | Al0.982 Fe1.368 H18 Mg0.27 Mn0.37 O18 P2 Zn0.03 | P -1 | 5.316; 10.62; 7.118 107.33; 111.33; 72.22 | 348.453 | Grey, I. E.; Keck, E.; Mumme, W. G.; Pring, A.; Macrae, C. M.; Glenn, A. M.; Davidson, C. J.; Shanks, F. L.; Mills, S. J. Kummerite, Mn2+Fe3+Al(PO4)2(OH)2*8H2O, a new laueite-group mineral from the Hagendorf Sud pegmatite, Bavaria, with ordering of Al and Fe3+ Mineralogical Magazine, 2016, 80, 1243-1254 |
| 1561357 | CIF | Cl1.5 Cu1.5 O1.5 Te0.5 | P -1 | 6.2477; 6.2509; 9.408 80.674; 75.611; 80.849 | 348.47 | Markovski, Mishel R.; Siidra, Oleg I.; Kayukov, Roman A.; Nazarchuk, Evgeni W. Porous layered and open-framework mixed-valence copper tellurites Journal of Solid State Chemistry, 2016, 243, 215-220 |
| 7225700 | CIF | C2.667 H6 N0.667 O0.667 S1.333 | P 1 | 6.5991; 6.9097; 8.2602 109.839; 95.545; 94.714 | 349.97 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 1543233 | CIF HKL Paper | C8 H4 Cl N O2 | P 1 21 1 | 5.6231; 4.993; 12.5145 90; 91.916; 90 | 351.16 | Golen, James A.; Manke, David R. 6-Chloro-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160690 |
| 1551314 | CIF | Fe4 O5 | P 1 21/m 1 (c,2*a+c,b) | 2.861; 9.8123; 12.5425 90; 90; 90 | 352.11 | Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation Nature Chemistry, 2016, 8, 501-508 |
| 1542881 | CIF HKL Paper | C7 H5 Br O3 | P -1 | 3.9283; 5.9578; 15.1246 92.925; 90.62; 94.71 | 352.28 | Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P. 4-Bromo-2-hydroxybenzoic acid IUCrData, 2016, 1, x160325 |
| 7226832 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.1208; 7.1208; 8.0513 90; 90; 120 | 353.55 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 1552015 | CIF | O Xe2 | C 1 2/m 1 | 10.0009; 3.206; 11.0813 90; 93.325; 90 | 354.7 | Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure Nature Chemistry, 2016, 8, 784-790 |
| 9017885 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.97; 7.595; 7.632 90; 118.58; 90 | 354.787 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017884 | CIF | Co0.858 H2 Mg0.142 O5 S | C 1 2/c 1 | 6.963; 7.601; 7.633 90; 118.5; 90 | 355.027 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.14Co0.86 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017883 | CIF | Co0.509 H2 Mg0.491 O5 S | C 1 2/c 1 | 6.943; 7.614; 7.639 90; 118.33; 90 | 355.461 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.49Co0.51 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017882 | CIF | Co0.279 H2 Mg0.721 O5 S | C 1 2/c 1 | 6.929; 7.623; 7.641 90; 118.19; 90 | 355.724 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities Note: sample Mg0.76Co0.28 European Journal of Mineralogy, 2016, 28, 43-52 |
| 9017881 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.91; 7.634; 7.643 90; 118; 90 | 355.983 | Bechtold, A.; Wildner, M. Crystal chemistry of the kieserite-cobaltkieserite solid solution, Mg1-xCox(SO4)*H2O: well-behaved oddities European Journal of Mineralogy, 2016, 28, 43-52 |
| 1561624 | CIF | C12 H8 Cl2 Hg N6 | P -1 | 7.171; 7.6105; 7.8242 115.752; 93.948; 107.64 | 356.37 | Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies Journal of Solid State Chemistry, 2016, 233, 311-319 |
| 7226831 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.161; 7.161; 8.0474 90; 90; 120 | 357.38 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7038683 | CIF | C12 H4 Cl2 F6 N4 | P -1 | 4.7813; 6.6169; 11.691 75.795; 86.893; 88.052 | 357.95 | Kottelat, E.; Ruggi, A.; Zobi, F. Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6920-6927 |
| 2020388 | CIF HKL Paper | C12 H18 Cl2 N2 O2 | P -1 | 5.3844; 7.3682; 9.7405 104.395; 102.234; 97.2263 | 359.25 | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K. Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide Acta Crystallographica Section C, 2016, 72 |
| 7236168 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6604; 7.4079; 10.4566 90; 92.007; 90 | 360.78 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 7037846 | CIF | C4 H4 N8 O2 | P 1 21/c 1 | 7.581; 6.325; 7.891 90; 107.344; 90 | 361.2 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3590-3598 |
| 1543603 | CIF | C8 H14 Cl2 I2 N2 O2 | P -1 | 5.6207; 6.9699; 10.1484 94.689; 105.261; 106.876 | 361.61 | Suponitsky, Kyrill Yu; Burakov, N. I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A. Multiple Noncovalent Bonding in Halogen Complexes with Oxygen Organics. I. Tertiary Amides. The journal of physical chemistry. A, 2016, 120, 4179-4190 |
| 1544192 | CIF HKL | C16 H10 N6 O2 | P -1 | 5.1939; 8.0697; 9.1482 106.819; 96.077; 92.804 | 363.69 | Posel, Maciej; Stoeckli-Evans, Helen (<i>E</i>)-<i>N</i>,<i>N</i>'-(1,2-Dicyanoethene-1,2-diyl)dipicolinamide IUCrData, 2016, 1, x161464 |
| 7226257 | CIF | Ga2.4 K2.4 S8 Si1.6 | I 4/m c m | 7.891; 7.891; 5.866 90; 90; 90 | 365.26 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7226836 | CIF | C3 H7 Fe N O6 | P 1 21 1 | 6.668; 8.298; 7.393 90; 116.64; 90 | 365.6 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 1554044 | CIF | C10 H14 Co N8 O2 | P -1 | 6.4415; 7.3787; 8.5998 105.661; 107.985; 96.254 | 366 | Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer. The journal of physical chemistry. B, 2016, 120, 6803-6811 |
| 7055524 | CIF | C12 H12 N2 O8 U | P -1 | 5.6911; 7.4024; 9.8667 106.561; 105.897; 99.948 | 368.73 | Gao, Xue; Song, Jian; Sun, Li Xian; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan A family of uranium‒carboxylic acid hybrid materials: synthesis, structure and mixed-dye selective adsorption New J. Chem., 2016, 40, 6077 |
| 7226835 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.26097; 7.26097; 8.0811 90; 90; 120 | 368.969 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7226121 | CIF HKL | Bi2 Ca | C m c m | 4.697; 17.069; 4.6127 90; 90; 90 | 369.81 | Winiarski, M.J.; Wiendlocha, B.; Golab, S.; Kushwaha, S.K.; Wisniewski, P.; Kaczorowski, D.; Thompson, J.D.; Cava, R.J.; Klimczuk, T. Superconductivity in CaBi2 Physical Chemistry Chemical Physics, 2016, 18, 21737-21745 |
| 7226256 | CIF | Ga2.4 Ge1.6 K2.4 S8 | I 4/m c m | 7.8824; 7.8824; 5.9557 90; 90; 90 | 370.04 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7040216 | CIF | Fe3.19 Mn0.81 O16 Si2 Sn7 | P -3 m 1 | 6.83663; 6.83663; 9.14429 90; 90; 120 | 370.139 | Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D. Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9689-9694 |
| 7226834 | CIF | C3 H7 N Ni O6 | P 63 2 2 | 7.2864; 7.2864; 8.05248 90; 90; 120 | 370.243 | Collings, Ines E.; Bykov, Maxim; Bykova, Elena; Tucker, Matthew G.; Petitgirard, Sylvain; Hanfland, Michael; Glazyrin, Konstantin; van Smaalen, Sander; Goodwin, Andrew L.; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Structural distortions in the high-pressure polar phases of ammonium metal formates CrystEngComm, 2016, 18, 8849 |
| 7039322 | CIF | C3 H3 I2 N3 | P m n 21 | 11.4559; 4.1982; 7.7048 90; 90; 90 | 370.56 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 4130729 | CIF | C17 H15 N O4 | P 1 | 6.4718; 7.7276; 7.9956 68.426; 85.638; 87.899 | 370.76 | Huo, Xiaohong; He, Rui; Zhang, Xiao; Zhang, Wanbin An Ir/Zn Dual Catalysis for Enantio- and Diastereodivergent α-Allylation of α-Hydroxyketones. Journal of the American Chemical Society, 2016, 138, 11093-11096 |
| 7039126 | CIF | C10 H10 F2 N2 O8 S2 Ti | P -1 | 4.5768; 8.9162; 10.1236 112.888; 95.196; 98.706 | 371.11 | Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T. Synthesis and structural characterisation of transition metal fluoride sulfates. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8854-8861 |
| 3500045 | CIF | F6 K2 Zr | P 4/n m m :2 | 6.33605; 6.33605; 9.29458 90; 90; 90 | 373.136 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
| 7236131 | CIF | C16 H16 Ge2 O4 | P -1 | 5.04; 5.7142; 13.393 78.607; 81.131; 89.16 | 373.54 | Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries Journal of Materials Chemistry A, 2016, 4, 2705 |
| 1553299 | CIF | C14 H22 O6 | P 1 | 6.3082; 7.5108; 8.11 88.911; 85.044; 77.888 | 374.29 | Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U.; Lin, Wenhan; Liu, Zhen; Proksch, Peter Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora. Journal of natural products, 2016, 79, 2332-2340 |
| 7037879 | CIF | C6 H6 O6 Zn | C 1 2/m 1 | 6.7149; 7.7544; 7.8421 90; 113.45; 90 | 374.61 | Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F. An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1339-1344 |
| 1561625 | CIF | C12 H8 Br2 Hg N6 | P -1 | 7.366; 7.6676; 7.8964 115.26; 93.94; 107.423 | 374.73 | Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies Journal of Solid State Chemistry, 2016, 233, 311-319 |
| 4129973 | CIF | C6 H2 F I N2 S | P -1 | 7.1942; 7.6321; 8.348 70.391; 67.906; 65.029 | 376.38 | Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B. KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds. Journal of the American Chemical Society, 2016, 138, 3946-3949 |
| 7223842 | CIF | C10 H18 O2 Pd S4 | P -1 | 6.0243; 8.0461; 8.9366 111.05; 99.851; 103.836 | 376.42 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7037878 | CIF | C6 H6 Mg O6 | C 1 2/m 1 | 6.8276; 7.6461; 7.8635 90; 112.777; 90 | 378.5 | Abrahams, Brendan F.; Dharma, A. David; Dyett, Brendan; Hudson, Timothy A.; Maynard-Casely, Helen; Kingsbury, Christopher J.; McCormick, Laura J.; Robson, Richard; Sutton, Ashley L.; White, Keith F. An indirect generation of 1D M(II)-2,5-dihydroxybenzoquinone coordination polymers, their structural rearrangements and generation of materials with a high affinity for H2, CO2 and CH4. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1339-1344 |
| 7225338 | CIF | C10 H18 Cd N4 O8 | P -1 | 7.2694; 7.2818; 8.2989 111.267; 109.883; 91.968 | 378.69 | Liu, Qi; Liu, Jing; Cheng, Mei-Ling; Yu, Lili; Chen, Sheng-Chun; Shao, Yongliang; Zhai, Changwei; Yin, Fengxiang Three Metal Complexes Derived from 3-Methyl-1H-Pyrazole-4-Carboxylic Acid: Synthesis, Crystal Structures, Luminescence and Electrocatalytic Properties RSC Adv., 2016 |
| 7223841 | CIF | C10 H18 O2 Pd S4 | P -1 | 5.7038; 6.7822; 10.5967 72.42; 78.467; 79.852 | 379.94 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7225135 | CIF | C4 H8 Cu F6 O12 S2 | P -1 | 5.4169; 6.2821; 11.269 88.143; 84.561; 87.54 | 381.25 | Zhao, Gang; Wu, Hao; Xiao, Zhiwei; Chen, Qing-Yun; Liu, Chao Trifluoromethylation of Haloarenes with a New Trifluoromethylating Reagent Cu(O2CCF2SO2F)2 RSC Adv., 2016 |
| 4347951 | CIF | C10 H9 Cu I N | P -1 | 4.1218; 9.405; 10.003 89.531; 87.567; 80.085 | 381.64 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7039010 | CIF | C8 H4 Ba O6 | P -1 | 7.3881; 7.43; 8.0377 69.771; 67.998; 79.288 | 383.05 | Wang, Ze-Ping; Hu, Bing; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying Microwave-assisted ionothermal synthesis of a water-stable Eu-coordination polymer: a Ba(2+) ion detector and fluorescence thermometer. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8745-8752 |
| 4344870 | CIF | Ca Cu2.79 Fe4.21 O12 | P n -3 :2 | 7.26256; 7.26256; 7.26256 90; 90; 90 | 383.062 | Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12. Inorganic chemistry, 2016, 55, 1715-1719 |
| 7038998 | CIF | C4 H12 Co Na2 O16 | P -1 | 6.7969; 6.9292; 8.8126 86.786; 67.652; 89.192 | 383.26 | Saritha, A.; Raju, B.; Narsimhulu, M.; Rao, D. Narayana; Raghavaiah, P.; Hussain, K. A. A novel blue luminescent material Na2[Co(C2O4)2(H2O)2]·6H2O: synthesis, structure, luminescence and magnetic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8500-8505 |
| 2241768 | CIF HKL Paper | C7 H7 N5 O3 | P -1 | 6.8925; 7.6352; 8.0605 95.063; 105.135; 107.647 | 383.69 | Guo, Wei; Li, Cheng-Xun; Lv, Jie; Wang, Jing Crystal structure of 6,7-dihydroxy-6,7-dihydro-3<i>H</i>-imidazo[1,2-<i>a</i>]purin-9(5<i>H</i>)-one Acta Crystallographica Section E, 2016, 72, 1147-1149 |
| 7125072 | CIF | C5 H12 N O P | P 1 21/m 1 | 5.941; 7.4092; 8.8324 90; 99.184; 90 | 383.8 | Jost, Maximilian; Finger, Lars H.; Sundermeyer, Jörg; von Hänisch, Carsten Simple access to ionic liquids and organic salts containing the phosphaethynolate (PCO(-)) and Zintl (Sb11(3-)) anions. Chemical communications (Cambridge, England), 2016, 52, 11646-11648 |
| 4347950 | CIF | C10 H9 Cu I N | P -1 | 4.1322; 9.4165; 10.0257 89.417; 87.462; 80.013 | 383.82 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 4036660 | CIF | C6 H6 N O5 P | P -1 | 7.462; 7.805; 8.031 68.53; 63.42; 88.31 | 384.2 | Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł Structural Analogues of Selfotel. The Journal of organic chemistry, 2016, 81, 4947-4954 |
| 4036649 | CIF | C8 H10 N2 | P -1 | 4.1693; 8.687; 10.729 95.442; 90.247; 95.864 | 384.78 | Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science. The Journal of organic chemistry, 2016, 81, 3560-3567 |
| 4347949 | CIF | C10 H9 Cu I N | P -1 | 4.1436; 9.432; 10.0405 89.342; 87.41; 80.047 | 386.1 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 2241547 | CIF HKL Paper | H Mn O9 Pb2 V2 | P 1 21/m 1 | 7.6492; 6.1262; 8.9241 90; 112.195; 90 | 387.202 | Lafuente, Barbara; Downs, Robert T. Redetermination of brackebuschite, Pb~2~Mn^3+^(VO~4~)~2~(OH) Acta Crystallographica Section E, 2016, 72, 293-296 |
| 9017352 | CIF | As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09 | P 1 21/m 1 | 7.6492; 6.1262; 8.9241 90; 112.195; 90 | 387.202 | Lafuente, B.; Downs, R. T. Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH) Acta Crystallographica, Section E, 2016, 72, 293-296 |
| 7038746 | CIF | H Mn O9 Pb2 V2 | P 1 21/m 1 | 7.672; 6.168; 8.781 90; 111.232; 90 | 387.3 | Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; Tang, Yingying; Cui, Meiyan; He, Zhangzhen Synthesis, characterization, and mechanism analysis of S = 2 quasi-one-dimensional ferromagnetic semiconductor Pb2Mn(VO4)2(OH). Dalton transactions (Cambridge, England : 2003), 2016, 45, 7022-7027 |
| 7039325 | CIF | C4 H5 I N4 O2 | P -1 | 6.9327; 7.2485; 8.5638 77.511; 67.263; 83.499 | 387.3 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 4344869 | CIF | Ca Cu2.79 Fe4.21 O12 | I m -3 | 7.29481; 7.29481; 7.29481 90; 90; 90 | 388.188 | Yamada, Ikuya; Murakami, Makoto; Hayashi, Naoaki; Mori, Shigeo Inverse Charge Transfer in the Quadruple Perovskite CaCu3Fe4O12. Inorganic chemistry, 2016, 55, 1715-1719 |
| 7038866 | CIF | C5 H4 Cl N O S Sn | P -1 | 5.9142; 7.4252; 9.479 79.27; 72.376; 82.595 | 388.62 | Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan O,S-Heterocyclic stannylenes: synthesis and reactivity. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7200-7204 |
| 2108019 | CIF HKL | H O4 Rb S | P 1 21/c 1 | 7.3202; 7.765; 7.3247 90; 110.938; 90 | 388.85 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 4344559 | CIF | N O3 P Sr2 | P n m a | 7.1397; 5.5649; 9.7903 90; 90; 90 | 388.99 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 7040825 | CIF | C6 H7 Cu O4 P | P m n 21 | 5.65908; 14.3406; 4.79644 90; 90; 90 | 389.25 | Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska The crystallisation of copper(ii) phenylphosphonates. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17453-17463 |
| 4347948 | CIF | C10 H9 Cu I N | P -1 | 4.1523; 9.453; 10.086 89.285; 87.14; 80.077 | 389.48 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 4344554 | CIF | N O3 P Sr2 | P n m a | 7.1421; 5.5677; 9.7964 90; 90; 90 | 389.55 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 7039273 | CIF | Eu2 H4 Na2 O18 Si6 | P -1 | 7.056; 7.075; 8.029 102.381; 95.387; 90.552 | 389.6 | Liu, Wei; Ji, Ying; Wang, Ying; Sun, Qiushi; Zhao, Xudong; Liu, Xiaoyang; Jia, Xiaopeng Synthesis, crystal structure, and luminescence properties of a new europium silicate. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9631-9635 |
| 7224682 | CIF HKL | Eu0.13 O16 Si4 Sr7.89 | P n m a | 7.075148; 5.664368; 9.73139 90; 90; 90 | 389.998 | Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution Journal of Materials Chemistry C, 2016, 4, 1336-1344 |
| 4344557 | CIF | N O3 P Sr2 | P n m a | 7.1433; 5.5711; 9.8 90; 90; 90 | 390 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 7224683 | CIF HKL | Eu0.12 Lu0.02 O16 Si4 Sr7.86 | P n m a | 7.073702; 5.667776; 9.73626 90; 90; 90 | 390.348 | Zhiguo Xia; Shihai Miao; Maxim S. Molokeev; Mingyue Chen; Quanlin Liu Structure and luminescence properties of Eu2+ doped LuxSr2-xSiNxO4-x phosphors evolved from chemical unit cosubstitution Journal of Materials Chemistry C, 2016, 4, 1336-1344 |
| 4344558 | CIF | N O3 P Sr2 | P n m a | 7.1482; 5.5745; 9.8061 90; 90; 90 | 390.75 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 4125285 | CIF | B Bi3 O9 Te | P 63 | 8.751; 8.751; 5.8981 90; 90; 120 | 391.16 | Xia, Mingjun; Jiang, Xingxing; Lin, Zheshuai; Li, Rukang "All-Three-in-One": A New Bismuth-Tellurium-Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response. Journal of the American Chemical Society, 2016, 138, 14190-14193 |
| 4344556 | CIF | N O3 P Sr2 | P n m a | 7.1519; 5.5778; 9.8132 90; 90; 90 | 391.47 | Marchuk, Alexey; Schultz, Peter; Hoch, Constantin; Oeckler, Oliver; Schnick, Wolfgang M2PO3N (M = Ca, Sr): ortho-Oxonitridophosphates with β-K2SO4 Structure Type. Inorganic chemistry, 2016, 55, 974-982 |
| 7236167 | CIF | C2 H6 N2 O | P 1 21/c 1 | 4.6147; 6.5781; 12.9004 90; 90.418; 90 | 391.59 | Baaklini, G.; Gbabode, G.; Clevers, S.; Négrier, P.; Mondieig, D.; Coquerel, G. Trimorphism of N-methylurea: crystal structures, phase transitions and thermodynamic stabilities CrystEngComm, 2016, 18, 4772 |
| 2300614 | CIF HKL | Ba2 Co Ge2 O7 | P -4 21 m | 8.392; 8.392; 5.561 90; 90; 90 | 391.64 | Sazonov, Andrew; Meven, Martin; Roth, Georg; Georgii, Robert; Kézsmárki, István; Kocsis, Vilmos; Tokunaga, Yusuke; Taguchi, Yasujiro; Tokura, Yoshinori; Hutanu, Vladimir Origin of forbidden reflections in multiferroic Ba~2~CoGe~2~O~7~ by neutron diffraction: symmetry lowering or Renninger effect? Journal of Applied Crystallography, 2016, 49, 556-560 |
| 4347947 | CIF | C10 H9 Cu I N | P -1 | 4.1662; 9.4691; 10.1154 89.167; 87.104; 79.977 | 392.46 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 1542288 | CIF | Fe2 O9 Se3 | P 63/m | 7.872; 7.872; 7.3258 90; 90; 120 | 393.15 | Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids The Journal of Physical Chemistry C, 2016, 120, 1650 |
| 4130305 | CIF | C19 H21 N O3 | P 1 | 6.7858; 7.7709; 8.1797 112.386; 91.911; 96.499 | 394.89 | Hayashi, Masaki; Bachman, Shoshana; Hashimoto, Satoshi; Eichman, Chad C.; Stoltz, Brian M. Ni-Catalyzed Enantioselective C-Acylation of α-Substituted Lactams. Journal of the American Chemical Society, 2016, 138, 8997-9000 |
| 4347946 | CIF | C10 H9 Cu I N | P -1 | 4.1769; 9.4845; 10.1521 89.116; 86.774; 80.153 | 395.62 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7041327 | CIF | C4 H6 Gd O8 | P -1 | 7.4211; 7.835; 8.56 111.251; 98.87; 114.089 | 395.88 | Liu, Sui-Jun; Cao, Chen; Yao, Shu-Li; Zheng, Teng-Fei; Wang, Zheng-Xiang; Liu, Chao; Liao, Jin-Sheng; Chen, Jing-Lin; Li, Yun-Wu; Wen, He-Rui Temperature- and vapor-induced reversible single-crystal-to-single-crystal transformations of three 2D/3D Gd(III)-organic frameworks exhibiting significant magnetocaloric effects. Dalton transactions (Cambridge, England : 2003), 2016, 46, 64-70 |
| 7224138 | CIF | Al Li3 O5 Si | P n a 21 | 5.331; 15.551; 4.782 90; 90; 90 | 396.4 | Chen, Xinglong; Zhang, Fangfang; Liu, Lili; Lei, Bing-Hua; Dong, Xiaoyu; Yang, Zhihua; Li, Hongyi; Pan, Shilie Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure. Physical chemistry chemical physics : PCCP, 2016, 18, 4362-4369 |
| 4130017 | CIF | C4 H4 Cu N4 O6 | P m n a | 6.70122; 5.11854; 11.63508 90; 90; 90 | 399.089 | Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.; Brambleby, Jamie; Blackmore, William J. A.; Goddard, Paul A.; Xiao, Fan; Williams, Robert C.; Lancaster, Tom; Pratt, Francis L.; Blundell, Stephen J.; Singleton, John; Manson, Jamie L.; Macchi, Piero Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets. Journal of the American Chemical Society, 2016, 138, 2280-2291 |
| 7155208 | CIF | C7 H3 Br F N O3 | P 1 21 1 | 4.9191; 6.2146; 13.1151 90; 95.211; 90 | 399.27 | Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors. Organic & biomolecular chemistry, 2016, 14, 8246-8252 |
| 7222921 | CIF | C6 H10 F N O4 | P -1 | 6.5648; 6.6759; 9.6206 98.163; 100.929; 101.047 | 399.3 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7037483 | CIF | Bi2 Cr Fe3 O9 | P b a m | 7.95579; 8.39146; 5.98242 90; 90; 90 | 399.391 | Rozova, M. G.; Grigoriev, V. V.; Bobrikov, I. A.; Filimonov, D. S.; Zakharov, K. V.; Volkova, O. S.; Vasiliev, A. N.; Antipov, E. V.; Tsirlin, A. A.; Abakumov, A. M. Synthesis, structure and magnetic ordering of the mullite-type Bi2Fe4-xCrxO9 solid solutions with a frustrated pentagonal Cairo lattice. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1192-1200 |
| 2241839 | CIF HKL Paper | C10 H8 O2 | P -1 | 6.9725; 7.3174; 8.9189 69.241; 79.975; 70.127 | 399.422 | Hübscher, Jörg; Rosin, Robert; Seichter, Wilhelm; Weber, Edwin Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3,3-dimethyl-1-propynyl)phenol Acta Crystallographica Section E, 2016, 72, 1370-1373 |
| 4347945 | CIF | C10 H9 Cu I N | P -1 | 4.1925; 9.515; 10.199 89.023; 86.675; 80.109 | 400.12 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7225140 | CIF | C10 H18 N12 O4 | P -1 | 5.386; 7.2676; 11.1149 106.362; 92.344; 104.613 | 401 | Shang, Yu; Jin, Bo; Peng, Ru-Fang; Guo, Zhicheng; Liu, Qiangqiang; Zhao, Jun; Zhang, Qingchun Nitrogen-rich Energetic Salts of 1H,1′H-5,5′-Bistetrazole-1,1′-diolate: Synthesis, Characterization, and Thermal Behaviors RSC Adv., 2016 |
| 7038377 | CIF | F7 Ge N3 | P 4/m b m | 8.21714; 8.21714; 5.93902 90; 90; 90 | 401.011 | Mel'nikova, S. V.; Molokeev, M. S.; Laptash, N. M.; Misyul, S. V. A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5321-5327 |
| 1543547 | CIF | Ba O4 Te | P 1 21/n 1 | 5.9083; 5.0195; 13.538 90; 92.715; 90 | 401.04 | Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6] Journal of Solid State Chemistry, 2016, 241, 187-197 |
| 7039323 | CIF | C4 H5 I2 N3 | P -1 | 7.274; 7.508; 7.98 84.239; 83.37; 68.174 | 401.1 | Chand, Deepak; He, Chunlin; Hooper, Joseph P.; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Mono- and diiodo-1,2,3-triazoles and their mono nitro derivatives. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9684-9688 |
| 4036645 | CIF | C8 H8 O S2 | P -1 | 6.8851; 7.9251; 8.1801 85.683; 89.92; 64.419 | 401.21 | Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J. Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination. The Journal of organic chemistry, 2016, 81, 3214-3226 |
| 1543229 | CIF HKL | C8 H4 I N O2 | P -1 | 6.4152; 7.5089; 8.9546 110.162; 96.12; 91.997 | 401.43 | Golen, James A.; Manke, David R. 6-Iodo-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160700 |
| 7119153 | CIF | C2 H6 Cd | P 1 21/n 1 | 7.483; 7.711; 7.734 90; 115.85; 90 | 401.6 | Hanke, Felix; Hindley, Sarah; Jones, Anthony C.; Steiner, Alexander The solid state structures of the high and low temperature phases of dimethylcadmium Chemical Communications, 2016, 52, 10144 |
| 7041098 | CIF | C4 H6 N4 O7 | P -1 | 6.1081; 7.5366; 8.8543 80.728; 87.505; 88.355 | 401.8 | Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C. Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18909-18920 |
| 4347944 | CIF | C10 H9 Cu I N | P -1 | 4.2027; 9.5344; 10.2292 88.945; 86.478; 80.055 | 402.95 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 1542478 | CIF HKL Paper | Ba5.78 Cl2 F12 Pb1.22 | P -6 | 10.5878; 10.5878; 4.1528 90; 90; 120 | 403.17 | Weil, Matthias The solid solution Ba~5.78~Pb~1.22~F~12~Cl~2~ IUCrData, 2016, 1, x152427 |
| 4349115 | CIF | C8 H3 F Fe N6 O0.5 Pt | P 1 2/m 1 | 7.2782; 7.5613; 7.482 90; 101.494; 90 | 403.5 | Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Muñoz, M Carmen; Znovjyak, Kateryna; Fritsky, Igor O.; Real, José Antonio Strong Cooperative Spin Crossover in 2D and 3D Fe<sup>II</sup>-M<sup>I,II</sup> Hofmann-Like Coordination Polymers Based on 2-Fluoropyrazine. Inorganic chemistry, 2016, 55, 10654-10665 |
| 4036771 | CIF | C13 H25 Br O4 | P 1 | 6.0963; 8.7014; 8.705 66.516; 73.36; 87.831 | 404.25 | Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno Total Synthesis of (-)-Luminacin D. The Journal of organic chemistry, 2016, 81, 3818-3837 |
| 7154955 | CIF | C8 H7 N3 O2 | P -1 | 5.7205; 7.824; 9.811 72.891; 85.142; 74.695 | 404.78 | Patel, Shyam Sunder; Chandna, Nisha; Kumar, Shreemoyee; Jain, Nidhi I2 mediated synthesis of 5-substituted-3-methyl/benzyl-1,3,4-oxadiazol-2(3H)-ones via sequential condensation/oxidative cyclization and rearrangement. Organic & biomolecular chemistry, 2016, 14, 5683-5689 |
| 7224638 | CIF | C10 H15 F | P -4 21 c | 6.7776; 6.7776; 8.8235 90; 90; 90 | 405.32 | Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll Structure and reorientational dynamics of 1-F-adamantane. Physical chemistry chemical physics : PCCP, 2016, 18, 10924-10930 |
| 4347943 | CIF | C10 H9 Cu I N | P -1 | 4.2128; 9.5476; 10.2634 88.839; 86.36; 80.045 | 405.76 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7118599 | CIF | C21 H19 P | P 1 | 5.6674; 8.267; 9.097 101.836; 101.813; 92.712 | 406.5 | Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines. Chemical communications (Cambridge, England), 2016, 52, 3163-3166 |
| 7055154 | CIF | C8 H22 N8 Ni O10 | P -1 | 6.881; 7.283; 9.541 105.601; 102.526; 109.834 | 407.4 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 4347942 | CIF | C10 H9 Cu I N | P -1 | 4.2218; 9.5636; 10.291 88.815; 86.218; 80.014 | 408.3 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7226254 | CIF | Ga2.4 Ge1.6 K2.4 Se8 | I 4/m c m | 8.1208; 8.1208; 6.208 90; 90; 90 | 409.4 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7037890 | CIF | Ba Cu0.5 O4.5 P | P 1 21/m 1 | 8.328; 5.868; 9.078 90; 112.571; 90 | 409.7 | Yang, Ming; Cui, Meiyan; Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; He, Zhangzhen Two S = 1/2 one-dimensional barium copper phosphates showing antiferromagnetic and ferromagnetic intrachain interactions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3319-3326 |
| 7226124 | CIF | C7 H7 I N2 O | P 1 21 1 | 4.6211; 5.2775; 16.932 90; 96.344; 90 | 410.41 | Koshti, Vijay S.; Thorat, Shridhar H.; Gote, Ravindra P.; Chikkali, Samir H.; Gonnade, Rajesh G. The impact of modular substitution on crystal packing: the tale of two ureas CrystEngComm, 2016, 18, 7078 |
| 1542289 | CIF | Fe2 H3 O9 P3 | P 63/m | 8.0195; 8.0195; 7.37 90; 90; 120 | 410.481 | Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids The Journal of Physical Chemistry C, 2016, 120, 1650 |
| 7055155 | CIF | C8 H22 Co0.5 N8 Ni0.5 O10 | P -1 | 6.9096; 7.3355; 9.5299 105.577; 102.494; 110.156 | 410.52 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 7224795 | CIF | C10 H14 N2 O | P -1 | 10.027; 7.0054; 6.5581 116.173; 94.86; 90.02 | 411.6 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 4347941 | CIF | C10 H9 Cu I N | P -1 | 4.237; 9.592; 10.329 88.78; 86.13; 80.001 | 412.45 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7055153 | CIF | C8 H22 Co N8 O10 | P -1 | 6.9244; 7.3583; 9.5353 105.537; 102.545; 110.219 | 412.65 | Selvakumar, Rajendran; Geib, Steven J.; Premkumar, Thathan; Vairam, Sundararajan; Govindarajan, Subbiah Isomorphic metal malonates with N-aminoguanidine: MCo2O4(M = Ni & Zn) nanoparticle synthesis via a (AmgH)2[M1/3Co2/3(mal)2(H2O)2] precursor solid solution New J. Chem., 2016, 40, 257 |
| 7226255 | CIF | Ga2.4 K2.4 Se8 Si1.6 | I 4/m c m | 8.1999; 8.1999; 6.146 90; 90; 90 | 413.25 | He, Jianqiao; Zhang, Xian; Guo, Pan; Cheng, Ye; Zheng, Chong; Huang, Fuqiang Synthesis, structure, and optical properties of K2.4Ga2.4M1.6Q8(M = Si, Ge; Q = S, Se) crystals and glasses RSC Adv., 2016, 6, 76789 |
| 7155013 | CIF | C9 H5 Cl N2 O2 | P -1 | 6.6155; 7.022; 9.6435 82.132; 76.879; 71.863 | 413.54 | Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation. Organic & biomolecular chemistry, 2016, 14, 3459-3468 |
| 1542542 | CIF HKL Paper | C16 H22 N2 O7 | P 1 | 6.778; 6.953; 9.458 109.182; 93.369; 98.437 | 413.7 | Numata, Takashi; Ikenomoto, Shun; Akitsu, Takashiro 4,4'-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate IUCrData, 2016, 1, x160252 |
| 7224794 | CIF | C10 H14 N2 O | P -1 | 10.007; 7.0202; 6.5889 115.903; 94.821; 90.068 | 414.53 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7226634 | CIF | C16 H20 Cd N4 O4 | P -1 | 5.1689; 8.3362; 9.9402 102.695; 95.013; 93.047 | 415.09 | Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities CrystEngComm, 2016, 18, 8309 |
| 7155012 | CIF | C9 H5 Cl N2 O2 | P -1 | 4.6985; 9.6719; 9.8461 111.248; 92.409; 91.899 | 416.09 | Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation. Organic & biomolecular chemistry, 2016, 14, 3459-3468 |
| 1561379 | CIF | Er0.341 Ga2.005 Pt0.75 | C 1 2/m 1 | 7.4879; 4.3204; 13.106 90; 101.01; 90 | 416.18 | Oswald, Iain W.H.; Gourdon, Olivier; Bekins, Amy; Evans, Jess; Treadwell, LaRico J.; Chan, Julia Y.; Macaluso, Robin T. Er1.33Pt3Ga8: A modulated variant of the Er4Pt9Al24-structure type Journal of Solid State Chemistry, 2016, 242, 161-167 |
| 7227107 | CIF | C3 H8 Fe N2 O6 | P 63 | 7.946; 7.946; 7.618 90; 90; 120 | 416.6 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7039069 | CIF | C4 H8 As F6 N | P -1 | 6.0657; 8.0332; 8.9481 94.12; 105.177; 94.836 | 417.3 | Haiges, Ralf; Baxter, Amanda F.; Goetz, Nadine R.; Axhausen, Joachim A.; Soltner, Theresa; Kornath, Andreas; Christe, Karl O. Protonation of nitriles: isolation and characterization of alkyl- and arylnitrilium ions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8494-8499 |
| 4347940 | CIF | C10 H9 Cu I N | P -1 | 4.2509; 9.6194; 10.3932 88.661; 85.739; 80.044 | 417.41 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7155026 | CIF | C18 H15 Br F3 N O | P 1 | 5.0171; 8.347; 10.439 101.211; 102.192; 91.033 | 418.4 | Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions. Organic & biomolecular chemistry, 2016, 14, 3501-3505 |
| 7226861 | CIF | C13 H14 Hg I2 N4 O2 | P 1 | 7.6855; 7.8344; 8.1579 91.15; 104.78; 116.81 | 418.7 | Mahmoudi, Ghodrat; Bauzá, Antonio; Gurbanov, Atash V.; Zubkov, Fedor I.; Maniukiewicz, Waldemar; Rodríguez-Diéguez, Antonio; López-Torres, Elena; Frontera, Antonio The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds CrystEngComm, 2016, 18, 9056 |
| 7055518 | CIF | C4 H6 N6 O5 | P 1 21 1 | 6.761; 5.5064; 11.3925 90; 97.072; 90 | 420.9 | Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines New J. Chem., 2016, 40, 6059 |
| 7223892 | CIF | Fe S8 V4 | I 1 2/m 1 | 7.9; 6.6425; 8.0327 90; 91.202; 90 | 421.43 | Sui, Lifang; Zhang, Xian; Tian, Zhangliu; Huang, Rongtie; Zhang, Hui; Cheng, Jinrong; Huang, Fu Qiang Synthesis, Crystal Structure and Physical Properties of FeV4S8 and KFe2V8S16 RSC Adv., 2016 |
| 7224793 | CIF | C10 H14 N2 O | P -1 | 10.037; 7.0477; 6.6292 115.381; 94.711; 90.103 | 421.88 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7224981 | CIF | C16 H28 N6 | P -1 | 6.912; 8.356; 8.844 110.9; 97.94; 111.5 | 422.2 | Hornung, Julius; Hübner, Olaf; Kaifer, Elisabeth; Himmel, Hans-Jörg Bent and twisted: the electronic structure of 2-azapropenylium ions obtained by guanidine oxidation RSC Adv., 2016, 6, 39323 |
| 7226153 | CIF | C4 Cu K2 O8 | P 1 21/n 1 | 4.8886; 6.6448; 13.171 90; 96.305; 90 | 425.26 | Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D. Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration CrystEngComm, 2016, 18, 5062 |
| 2107484 | CIF HKL Paper | C6 H6 N4 O4 | P 1 21 1 | 4.1964; 7.0129; 14.4528 90; 90.924; 90 | 425.28 | Pogoda, Dorota; Janczak, Jan; Videnova-Adrabinska, Veneta New polymorphs of an old drug: conformational and synthon polymorphism of 5-nitrofurazone Acta Crystallographica Section B, 2016, 72, 263-273 |
| 7040388 | CIF | K2 O18 Te4 U3 | P -1 | 6.8463; 7.0274; 9.4044 73.579; 81.098; 81.761 | 426.41 | Xiao, Bin; Kegler, Philip; Bosbach, Dirk; Alekseev, Evgeny V. Investigation of reactivity and structure formation in a K-Te-U oxo-system under high-temperature/high-pressure conditions. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15225-15235 |
| 4347898 | CIF | B3 Be6 F3 O9 | R -3 c :H | 4.4426; 4.4426; 24.956 90; 90; 120 | 426.56 | Guo, Shu; Liu, Lijuan; Xia, Mingjun; Kang, Lei; Huang, Qian; Li, Chao; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge. Inorganic chemistry, 2016, 55, 6586-6591 |
| 7223846 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.5622; 6.8643; 9.8385 84.811; 76.424; 83.388 | 427 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 4347939 | CIF | C10 H9 Cu I N | P -1 | 4.2816; 9.6687; 10.5131 88.493; 85.206; 80.047 | 427.14 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 4130314 | CIF | C10 H8 F2 O2 | P 1 | 5.4814; 8.5363; 10.1397 71.243; 75.321; 76.523 | 428.59 | Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans. Journal of the American Chemical Society, 2016, 138, 4014-4017 |
| 7055511 | CIF | C4 H7 N7 O4 | P -1 | 6.3027; 6.8628; 10.6253 72.876; 87.968; 77.54 | 428.68 | Klapötke, Thomas M.; Penger, Alexander; Pflüger, Carolin; Stierstorfer, Jörg Melt-cast materials: combining the advantages of highly nitrated azoles and open-chain nitramines New J. Chem., 2016, 40, 6059 |
| 7223939 | CIF | C3 H7 N O2 | P 21 21 21 | 5.779; 6.031; 12.318 90; 90; 90 | 429.3 | Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer CrystEngComm, 2016, 18, 2404 |
| 7223940 | CIF | C3 H7 N O2 | P 21 21 21 | 5.7772; 6.035; 12.316 90; 90; 90 | 429.4 | Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer CrystEngComm, 2016, 18, 2404 |
| 7223845 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.882; 7.3531; 10.0455 70.305; 70.788; 67.164 | 429.42 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7039025 | CIF | C8 H11 N O2 Zn | P 1 21/m 1 | 8.517; 6.232; 8.78 90; 112.358; 90 | 430.99 | Wróbel, Zbigniew; Justyniak, Iwona; Dranka, Izabela; Lewiński, Janusz Structural diversity of alkylzinc complexes with pyrrole-based N,O-ligands: from molecular complexes to coordination polymers. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7240-7243 |
| 7227108 | CIF | C3 H8 Mn N2 O6 | P 63 | 7.988; 7.988; 7.807 90; 90; 120 | 431.4 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 1549550 | CIF | C H5.2 Cu O4.6 P | C 1 2/m 1 | 14.836; 6.6844; 4.363 90; 93.28; 90 | 431.97 | Köferstein, Roberto; Arnold, Michael; Robl, Christian A Novel Three-Dimensional Copper(II) 1,2-Ethylenediphosphonate Framework with Channel-like Voids Zeitschrift für anorganische und allgemeine Chemie, 2016, 642, 1126 |
| 2241462 | CIF HKL Paper | C7 H2 Br3 N | P 1 21/m 1 | 4.8742; 10.247; 8.683 90; 94.97; 90 | 432 | Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J. Two new polytypes of 2,4,6-tribromobenzonitrile Acta Crystallographica Section E, 2016, 72, 178-183 |
| 1561341 | CIF | C6 H7 Hg O4 P | P m n 21 | 5.886; 14.422; 5.092 90; 90; 90 | 432.2 | Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates Journal of Solid State Chemistry, 2016, 243, 83-94 |
| 1543755 | CIF HKL Paper | C6 H7 N5 S | P -1 | 6.238; 7.234; 10.887 103.331; 92.329; 113.846 | 432.3 | El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione IUCrData, 2016, 1 |
| 4002661 | CIF | O2 Sb2 Se3 Sr2 | P 1 21/c 1 | 9.42424; 4.05707; 13.34148 90; 121.955; 90 | 432.809 | Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M. Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3 Chemistry of Materials, 2016, 28, 890 |
| 7225909 | CIF | C22 H12 S4 | P -1 | 3.9274; 7.167; 15.716 83.267; 89.379; 80.859 | 433.7 | Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors. CrystEngComm, 2016, 18, 6149-6152 |
| 4347938 | CIF | C10 H9 Cu I N | P -1 | 4.3025; 9.705; 10.594 88.464; 84.857; 80.103 | 433.99 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 1544636 | CIF | As H O5 Zn2 | P n n m | 8.3428; 8.566; 6.0769 90; 90; 90 | 434.28 | Jinnouchi, S.; Yoshiasa, A.; Sugiyama, K.; Shimura, R.; Arima, H.; Momma, K.; Miyawaki, R. Crystal structure refinements of legrandite, adamite, and paradamite: The complex structure and characteristic hydrogen bonding network of legrandite Journal of Mineralogical and Petrological Sciences, 2016, 111, 35-43 |
| 7224792 | CIF | C10 H14 N2 O | P -1 | 10.11; 7.1; 6.6984 114.72; 94.61; 90.202 | 435 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 1555870 | CIF | C20 H21 N O2 | P 1 | 7.0663; 8.3624; 8.9048 115.442; 109.848; 92.591 | 435.48 | Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts. Organic letters, 2016, 18, 5540-5543 |
| 2241627 | CIF HKL Paper | C8 H8 N6 | P 1 21/n 1 | 5.0618; 14.6282; 6.1294 90; 106.321; 90 | 435.56 | Lee, Chia-Hwa; Lee, Gene-Hsiang Crystal structure of 1,2-bis[(1<i>H</i>-imidazol-2-yl)methylidene]hydrazine and its one-dimensional hydrogen-bonding network Acta Crystallographica Section E, 2016, 72, 556-558 |
| 2241935 | CIF HKL Paper | C9 H8 Br N | P 1 21/m 1 | 4.0382; 8.9362; 12.1015 90; 93.763; 90 | 435.76 | Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4 Acta Crystallographica Section E, 2016, 72, 1762-1767 |
| 4347937 | CIF | C10 H9 Cu I N | P -1 | 4.3086; 9.7205; 10.6226 88.411; 84.745; 80.039 | 436.31 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7226506 | CIF | C H2 Hg N5 | P 1 21/c 1 | 5.0952; 13.021; 6.8264 90; 105.26; 90 | 436.93 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 2107965 | CIF Paper | C3 H3 N3 O2 | P 1 21/c 1 | 7.3215; 9.8106; 6.7539 90; 115.71; 90 | 437.095 | Kalaiarasi, Chinnasamy; Pavan, Mysore S.; Kumaradhas, Poomani Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study Acta Crystallographica Section B, 2016, 72, 775-786 |
| 2241944 | CIF HKL Paper | C4 H8 Cu N2 O8 | P 1 21/c 1 | 4.8564; 13.5188; 6.7205 90; 96.992; 90 | 437.94 | Dickie, Diane A.; Kemp, Richard A. Crystal structure of <i>catena</i>-poly[diammonium [di-μ-oxalato-cuprate(II)]] Acta Crystallographica Section E, 2016, 72, 1780-1782 |
| 4002662 | CIF | Bi2 O2 Se3 Sr2 | P 1 21/c 1 | 9.49954; 4.084794; 13.43734 90; 122.861; 90 | 437.984 | Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M. Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3 Chemistry of Materials, 2016, 28, 890 |
| 7235015 | CIF | C4.5 H5 N O0.5 | P -1 | 5.016; 5.466; 16.124 93.12; 96.16; 93.03 | 438.11 | Yang-Hui Luo; Qing-Ling Liu; Li-Jing Yang; Yu Sun; Jin-Wen Wang; Chao-Qun You; Bai-Wang Sun Magnetic observation of above room-temperature spin transition in vesicular nano-spheres Journal of Materials Chemistry C, 2016, 4, 8061-8069 |
| 1543238 | CIF | Li5.05 S12 Sn4.74 | C 1 2/m 1 | 19.217; 3.6996; 6.529 90; 109.056; 90 | 438.7 | Holzmann, T.; Schoop, L. M.; Ali, M. N.; Moudrakovski, I.; Gregori, G.; Maier, J.; Cava, R. J.; Lotsch, B. V. Li0.6[Li0.2Sn0.8S2] ‒ a layered lithium superionic conductor Energy Environ. Sci., 2016, 9, 2578 |
| 8106999 | CIF | C17 H20 F2 N4 O3 S | P 1 | 6.002; 6.765; 11.831 89.39; 86.29; 66.5 | 439.55 | Wang, Kun-Yan; Yang, Xiao-Li This molecule targets at type 2 diabetes - a single crystal study on (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl] tetrahydro-2H-pyran-3-amine (Omarigliptin), C17H20F2N4O3S Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 763-765 |
| 4031934 | CIF | C9 H14 O3 | P -1 | 6.1436; 6.8104; 10.8156 87.661; 78.156; 83.52 | 439.99 | Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction. The Journal of organic chemistry, 2016, 81, 2763-2769 |
| 1551598 | CIF | C10 H12 N2 O | P 1 21 1 | 6.345; 9.631; 7.805 90; 112.462; 90 | 440.8 | MITSUHASHI, Ryoji; UEDA, Takaaki; HOSOYA, Satoshi; MIKURIYA, Masahiro Synthesis and Crystal Structure of (<i>R</i>)-2-(4-Methylimidazolin-2-yl)phenol X-ray Structure Analysis Online, 2016, 32, 59 |
| 1543474 | CIF HKL Paper | C9 H7 N3 O3 | P -1 | 7.6004; 7.92; 9.3621 113.02; 91.404; 118.35 | 440.83 | Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. 1-(5-Nitro-1<i>H</i>-indazol-1-yl)ethanone IUCrData, 2016, 1, x160939 |
| 4347936 | CIF | C10 H9 Cu I N | P -1 | 4.3221; 9.7472; 10.683 88.353; 84.421; 80.102 | 441.23 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7224190 | CIF | C8 H5 Fe N O2 S | P 1 21/m 1 | 6.324; 8.9082; 7.8468 90; 91.684; 90 | 441.86 | Poh, Hwa Tiong; Ho, Chi Lui Paul; Fan, Wai Yip Cyclopentadienyl iron dicarbonyl (CpFe(CO)2) derivatives as apoptosis-inducing agents RSC Adv., 2016 |
| 7225499 | CIF | C3 H10 N10 O | P -1 | 3.805; 7.898; 15.015 84.83; 82.81; 83.49 | 443.5 | chen, fuxue; Wang, Qi; Lu, Huijie; Pang, Fu-Qing; Huang, Jinglun; Nie, Fude Nitrogen-rich hypergolic ionic salts based on (2-methyltetrazol-5-yl)diazotates RSC Adv., 2016 |
| 4003232 | CIF | C3 Ca2 F Na3 O9 | C 1 m 1 | 8.0892; 15.9002; 3.5273 90; 101.662; 90 | 444.32 | Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material Chemistry of Materials, 2016, 28, 2301 |
| 7055225 | CIF | B3 Cd4 Nd O10 | C 1 m 1 | 8.0536; 15.872; 3.5364 90; 100.268; 90 | 444.81 | Wang, Xing; Xia, Mingjun; Li, R. K. Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties New J. Chem., 2016, 40, 2057 |
| 7223847 | CIF | C12 H22 O2 Pd S4 | P -1 | 6.2746; 6.3302; 11.4138 79.69; 88.152; 86.065 | 444.89 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 2241936 | CIF HKL Paper | C8 H8 Br N O2 | P -1 | 4.0502; 9.3817; 12.1823 93.498; 99.284; 101.722 | 445.2 | Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4 Acta Crystallographica Section E, 2016, 72, 1762-1767 |
| 7055831 | CIF | Eu S3 Zr | P n m a | 8.465; 3.8075; 13.823 90; 90; 90 | 445.5 | Guo, Sheng-Ping; Chi, Yang; Zou, Jian-Ping; Xue, Huai-Guo Crystal and electronic structures, and photoluminescence and photocatalytic properties of α-EuZrS3 New J. Chem., 2016, 40, 10219 |
| 1542472 | CIF HKL | C16 H20 N2 O8 | P -1 | 5.4194; 9.0619; 9.4607 81.285; 82.771; 77.208 | 445.8 | Wang, Yi; Stoeckli-Evans, Helen Tetraethyl pyrazine-2,3,5,6-tetracarboxylate IUCrData, 2016, 1, x152174 |
| 4129760 | CIF | C4 Mn16 Si | C 1 2/m 1 | 10.28; 7.7913; 6.3715 90; 119.12; 90 | 445.8 | Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C. Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4. Journal of the American Chemical Society, 2016, 138, 248-256 |
| 2311854 | CIF | C11 H9 N O2 | P -1 | 5.0425; 9.0386; 10.1045 91.6608; 97.6593; 101.081 | 447.21 | Schirmer, Marie Luis; Spannenberg, Anke; Werner, Thomas Highly functionalized alkenes produced from base-free organocatalytic Wittig reactions: (E)-3-benzylidenepyrrolidine-2,5-dione, (E)-3-benzylidene-1-methylpyrrolidine-2,5-dione and (E)-3-benzylidene-1-tert-butylpyrrolidine-2,5-dione. Acta crystallographica. Section C, Structural chemistry, 2016, 72, 504-508 |
| 4347935 | CIF | C10 H9 Cu I N | P -1 | 4.3399; 9.782; 10.7842 88.265; 84.017; 80.082 | 448.49 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 4130231 | CIF | C7 H10 B N O4 | P -1 | 3.7693; 8.5103; 14.0577 93.315; 91.465; 94.628 | 448.51 | Mfuh, Adelphe M.; Doyle, John D.; Chhetri, Bhuwan; Arman, Hadi D.; Larionov, Oleg V. Scalable, Metal- and Additive-Free, Photoinduced Borylation of Haloarenes and Quaternary Arylammonium Salts. Journal of the American Chemical Society, 2016, 138, 2985-2988 |
| 7226440 | CIF | C4 H6 N6 O6 | P -1 | 5.0574; 9.395; 9.872 100.11; 97.281; 100.102 | 448.6 | Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole RSC Adv., 2016 |
| 7224191 | CIF | C8 H5 Fe N O2 S | P -1 | 6.798; 7.024; 10.813 93.169; 95.036; 118.514 | 449.1 | Poh, Hwa Tiong; Ho, Chi Lui Paul; Fan, Wai Yip Cyclopentadienyl iron dicarbonyl (CpFe(CO)2) derivatives as apoptosis-inducing agents RSC Adv., 2016 |
| 7037269 | CIF | K0.94 Se2 Tl1.06 | I 4/m c m | 8.0075; 8.0075; 7.0104 90; 90; 90 | 449.51 | Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S. Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5958-5967 |
| 7225837 | CIF | B6 Ca8 La0.18 O20 Y1.81 | C 1 m 1 | 8.0806; 16.0141; 3.5431 90; 101.206; 90 | 449.75 | Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205 |
| 4129909 | CIF | C6 H12 B F4 N O2 | P -1 | 5.4701; 7.6337; 11.2184 103.512; 91.167; 98.484 | 449.76 | Liniger, Marc; VanderVelde, David G.; Takase, Michael K.; Shahgholi, Mona; Stoltz, Brian M. Total Synthesis and Characterization of 7-Hypoquinuclidonium Tetrafluoroborate and 7-Hypoquinuclidone BF3 Complex. Journal of the American Chemical Society, 2016, 138, 969-974 |
| 7224993 | CIF | C16 H10 N6 S4 | P -1 | 5.3638; 7.2562; 12.7329 77.773; 80.204; 69.11 | 450.06 | Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt CrystEngComm, 2016, 18, 3925 |
| 7236143 | CIF | C4 H8 N8 O4 | P -1 | 5.4748; 9.655; 9.881 66.29; 75.35; 72.33 | 450.5 | Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials Journal of Materials Chemistry A, 2016, 4, 4971 |
| 4124954 | CIF HKL | Ca1.44 Mg1.44 Na2.56 O24 Sc2.56 Si8 | C 1 2/c 1 | 9.8048; 9.0206; 5.31486 90; 106.544; 90 | 450.61 | Zhiguo Xia; Guokui Liu; Jianguo Wen; Zhigang Mei; Mahalingam Balasubramanian; Maxim S. Molokeev; Licong Peng; Lin Gu; Dean J. Miller; Quanlin Liu; Kenneth R. Poeppelmeier Tuning of Photoluminescence by Cation Nanosegregation in the (CaMg)x(NaSc)1-xSi2O6 Solid Solution Journal of the American Chemical Society, 2016, 138, 1158-1161 |
| 2311331 | CIF | C6 H6 K Na O7 | P -1 | 5.9993; 8.2277; 10.1419 74.8964; 76.0187; 71.4496 | 451.264 | Rammohan, Alagappa; Kaduk, James A. Sodium potassium hydrogen citrate, NaKHC6H5O7. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 170-173 |
| 2311330 | CIF Paper | C6 H6 K Na O7 | P -1 | 5.99933; 8.2277; 10.1419 74.8964; 76.019; 71.4496 | 451.27 | Rammohan, Alagappa; Kaduk, James A. Sodium potassium hydrogen citrate, NaKHC6H5O7. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 170-173 |
| 7037848 | CIF | C4 H8 N10 O2 | P -1 | 7.7212; 8.2866; 8.3755 62.684; 71.571; 83.253 | 451.47 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3590-3598 |
| 7224738 | CIF | C22 H12 Mn O8 | P -1 | 4.804; 9.8809; 10.0661 75.987; 81.807; 79.391 | 453.26 | Mu, Bao; Li, Chang-Xia; Song, Ming; Ren, Yan-Li; Huang, Ru-Dan The electrochemical properties, nitrogen adsorption, and photocatalytic activities of three 3D metal‒organic frameworks bearing the rigid terphenyl tetracarboxylates ligands CrystEngComm, 2016, 18, 3086 |
| 4348318 | CIF | C6 H8 F5 N S | P -1 | 7.261; 8.419; 8.705 61.9; 82.15; 75.28 | 453.9 | Goettel, James T.; Kostiuk, Nathan; Gerken, Michael Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF. Inorganic chemistry, 2016, 55, 7126-7134 |
| 7037341 | CIF | C10 H10 N2 O2 | P -1 | 7.79; 7.974; 8.279 93.24; 115.09; 99.95 | 453.9 | Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6149-6158 |
| 7223913 | CIF | C21 H15 N O9 | P 1 | 12.6465; 7.9602; 5.3536 58.9404; 92.1712; 99.689 | 454.322 | Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization. CrystEngComm, 2016 |
| 4130427 | CIF | C12 H16 Ni S8 | P 1 | 6.9784; 7.8994; 9.217 70.105; 75.451; 75.277 | 454.44 | Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes. Journal of the American Chemical Society, 2016, 138, 6838-6851 |
| 2241960 | CIF HKL | C7 H5 Cl2 F N2 O3 | P -1 | 7.1116; 7.6131; 8.9414 86.927; 80.354; 72.587 | 455.38 | Park, Hyunjin; Choi, Myong Yong; Kwon, Eunjin; Kim, Tae Ho Crystal structure of fluroxypyr Acta Crystallographica Section E, 2016, 72, 1836-1838 |
| 1544304 | CIF | C18 H22 N4 O4 | P -1 | 7.7923; 7.9651; 8.4455 102.627; 95.961; 114.174 | 455.51 | Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ, 2016, 3 |
| 7225838 | CIF | B3 Ca4.03 La0.11 O10 Y0.86 | C 1 m 1 | 8.1214; 16.1024; 3.5623 90; 101.211; 90 | 456.97 | Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals CrystEngComm, 2016, 18, 6205 |
| 7118284 | CIF | C2 H2 N4 O12 | P 1 21/c 1 | 7.5489; 7.2995; 8.3759 90; 97.935; 90 | 457.12 | Fischer, Dennis; Klapötke, Thomas M; Stierstorfer, Jörg Tetranitratoethane. Chemical communications (Cambridge, England), 2016, 52, 916-918 |
| 4036814 | CIF | C8 H7 N5 O2 | P -1 | 7.0745; 7.2465; 10.1757 76.6471; 71.3133; 68.9809 | 457.29 | Imai, Taro; Harigae, Ryo; Moriyama, Katsuhiko; Togo, Hideo Preparation of 5-Aryl-2-Alkyltetrazoles with Aromatic Aldehydes, Alkylhydrazine, Di-tert-butyl Azodicarboxylate, and [Bis(trifluoroacetoxy)iodo]benzene. The Journal of organic chemistry, 2016, 81, 3975-3980 |
| 1561343 | CIF | C6 H7 As Hg O4 | P m n 21 | 5.957; 14.76; 5.219 90; 90; 90 | 458.88 | Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates Journal of Solid State Chemistry, 2016, 243, 83-94 |
| 4347934 | CIF | C10 H9 Cu I N | P -1 | 4.3661; 9.84; 10.923 88.206; 83.346; 80.104 | 459.15 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7226509 | CIF | C7 H6 Hg N6 O2 | P m m a | 7.2488; 6.2654; 10.1326 90; 90; 90 | 460.19 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 7234875 | CIF | Co Gd3 Ni | C 1 2/m 1 | 13.407; 3.8118; 9.5351 90; 109.079; 90 | 460.52 | Alessia Provino; Volodymyr Smetana; Durga Paudyal; Karl A. Gschneidner, Jr.; Anja-Verena Mudring; Vitalij K. Pecharsky; Pietro Manfrinetti; Marina Putti Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering Journal of Materials Chemistry C, 2016, 4, 6078-6089 |
| 7226098 | CIF | C8 H12 O6 | P 1 21/c 1 | 7.8642; 4.0675; 14.5155 90; 96.896; 90 | 460.96 | Sølvhøj, Amanda; Taarning, Esben; Madsen, Robert Methyl vinyl glycolate as a diverse platform molecule Green Chem., 2016, 18, 5448 |
| 1561615 | CIF | Ba F2 Mn O4 P | P 1 21/c 1 | 5.1463; 12.691; 7.8709 90; 116.24; 90 | 461.09 | Pei, Da-Ting; Sun, Wei; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao Novel phosphate halides BaMnIII[PO4]FCl and BaMnIII[PO4]F2: Effects of mixed halides on crystal structures and magnetic properties Journal of Solid State Chemistry, 2016, 234, 29-35 |
| 7037637 | CIF | C4 H14 Ni O8 | P 1 21/c 1 | 4.74771; 11.7147; 8.3144 90; 93.055; 90 | 461.77 | Möller, F; Merz, K.; Herrmann, C.; Apfel, U.-P. Bimetallic nickel complexes for selective CO2 carbon capture and sequestration. Dalton transactions (Cambridge, England : 2003), 2016, 45, 904-907 |
| 4348823 | CIF | C12 Co O20 U | P -1 | 6.3037; 8.3564; 9.1115 97.919; 91.438; 103.204 | 462.018 | Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process. Inorganic chemistry, 2016, 55, 10453-10466 |
| 4347933 | CIF | C10 H9 Cu I N | P -1 | 4.3745; 9.863; 10.963 88.206; 83.14; 80.11 | 462.61 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7225701 | CIF | C7 H13 N O2 S2 | P 1 21 1 | 6.4993; 8.663; 8.5034 90; 104.738; 90 | 463.02 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 7055270 | CIF | C12 H20 Au F6 N4 Sb | P -1 | 7.45; 7.938; 8.481 89.041; 84.027; 68.263 | 463.2 | Chou, Chang-Chuan; Yang, Chia-Chi; Chang, Hao-Ching; Lee, Way-Zen; Kuo, Ting-Shen Weaving an infinite 3-D supramolecular network via AuI⋯AuIIIaurophilicity and C‒H⋯Cl hydrogen bonding New J. Chem., 2016, 40, 1944 |
| 7225708 | CIF | C6 H13 N O3 S2 | P 1 21 1 | 6.6882; 8.6039; 8.0793 90; 94.507; 90 | 463.48 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 7234874 | CIF | Gd3 Ni2 | C 1 2/m 1 | 13.445; 3.727; 9.646 90; 106.44; 90 | 463.6 | Alessia Provino; Volodymyr Smetana; Durga Paudyal; Karl A. Gschneidner, Jr.; Anja-Verena Mudring; Vitalij K. Pecharsky; Pietro Manfrinetti; Marina Putti Gd3Ni2 and Gd3CoxNi2-x: magnetism and unexpected Co/Ni crystallographic ordering Journal of Materials Chemistry C, 2016, 4, 6078-6089 |
| 7224789 | CIF | C11 H16 N2 O | P -1 | 6.926; 8.343; 9.223 66.57; 81.99; 72.07 | 465.2 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 4130426 | CIF | C12 H16 Au S8 | P 1 | 6.957; 7.938; 9.378 73.394; 74.625; 73.189 | 465.6 | Branzea, Diana G.; Pop, Flavia; Auban-Senzier, Pascale; Clérac, Rodolphe; Alemany, Pere; Canadell, Enric; Avarvari, Narcis Localization versus Delocalization in Chiral Single Component Conductors of Gold Bis(dithiolene) Complexes. Journal of the American Chemical Society, 2016, 138, 6838-6851 |
| 1544525 | CIF HKL Paper | C8 H11 N O4 S | P 1 21/m 1 | 8.0644; 6.941; 8.6192 90; 105.039; 90 | 465.94 | Kennedy, Alan R.; Silva de Moraes, Lygia 4-Ammonio-5-methoxy-2-methylbenzenesulfonate IUCrData, 2016, 1, x161778 |
| 4036513 | CIF | C10 H9 Cl O3 | P -1 | 5.1208; 7.8498; 11.9863 99.256; 91.114; 100.217 | 467.43 | Olomola, Temitope O.; Klein, Rosalyn; Caira, Mino R.; Kaye, Perry T. Elucidating Latent Mechanistic Complexity in Competing Acid-Catalyzed Reactions of Salicylaldehyde-Derived Baylis-Hillman Adducts. The Journal of organic chemistry, 2016, 81, 109-120 |
| 7041100 | CIF | C4 H4 N6 O7 | P -1 | 7.416; 7.5385; 9.0347 70.713; 80.1; 81.601 | 467.47 | Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C. Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18909-18920 |
| 7225890 | CIF | C14 H18 Br Cl N4 O8 | P 1 | 8.1185; 8.2996; 8.8998 100.911; 106.931; 117.952 | 467.58 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 7225887 | CIF | C7 H9 Br N2 O4 | P -1 | 8.0994; 8.3605; 8.8967 101.264; 106.468; 118.411 | 467.59 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 2241822 | CIF HKL Paper | B2 Ba Mn O5 | P 1 21/c 1 | 8.2868; 8.657; 6.5263 90; 92.87; 90 | 467.6 | Maschmeyer, Elizabeth M.; Sanjeewa, Liurukara D.; Ranmohotti, Kulugammana G. S. Crystal structure of BaMnB~2~O~5~ containing structurally isolated manganese oxide sheets Acta Crystallographica Section E, 2016, 72, 1315-1320 |
| 7039241 | CIF | C16 H22 N4 O6 U | P -1 | 7.5311; 8.3134; 9.0115 71.652; 66.613; 66.9 | 467.8 | Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P. Binding of oxime group to uranyl ion. Dalton transactions (Cambridge, England : 2003), 2016, 45, 9307-9319 |
| 7039114 | CIF | Cl4 Cu7 Na2 O14 Se4 | P -1 | 7.446; 8.349; 9.137 110.335; 106.166; 105.161 | 469.3 | Tang, Yingying; Guo, Wenbin; Zhang, Suyun; Xiang, Hongping; Cui, Meiyan; He, Zhangzhen Na2Cu7(SeO3)4O2Cl4: a selenite chloride compound with Cu7 units showing spin-frustration and a magnetization plateau. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8324-8326 |
| 2020522 | CIF HKL Paper | C11 H13 N O | P 1 21 1 | 6.2155; 8.7681; 8.9686 90; 106.14; 90 | 469.51 | Donkeng Dazie, Joel; Liška, Alan; Ludvík, Jiří; Fábry, Jan; Dušek, Michal A study of the planarity of the pyrrolone fragment in 2-isopropyl-2,3-dihydro-1<i>H</i>-isoindol-1-one Acta Crystallographica Section C, 2016, 72, 518-524 |
| 4347528 | CIF | C14 H18 Cu Mg N2 O14 | P -1 | 7.353; 7.3876; 10.1154 73.526; 88.665; 63.878 | 469.8 | Saha, Debraj; Hazra, Dipak K.; Maity, Tanmoy; Koner, Subratanath Heterometallic Metal-Organic Frameworks That Catalyze Two Different Reactions Sequentially. Inorganic chemistry, 2016, 55, 5729-5731 |
| 7225706 | CIF | C7 H13 N O3 S2 | P 1 | 6.8616; 8.8688; 8.9458 66.923; 70.122; 85.373 | 470.12 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 2107630 | CIF HKL Paper | C11 H19 N | P 1 21/m 1 | 8.2451; 6.5202; 8.8214 90; 96.509; 90 | 471.18 | Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts Acta Crystallographica Section B, 2016, 72, 551-561 |
| 1542283 | CIF | C12 H26 In2 O6 | P 1 | 6.9927; 8.3025; 8.4128 76.086; 83.924; 87.628 | 471.36 | Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M. Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides Polym. Chem., 2016, 7, 2022 |
| 7226794 | CIF | C8 H14 N16 Na2 O6 | P -1 | 6.766; 7.2849; 10.7541 109.069; 98.932; 103.404 | 471.7 | Qin, Jian; Li, Tong; Zhang, Jianguo; Zhang, Zhibin Nitrogen-rich energetic compounds of 4-carboxamide-5-(1H-tetrazol-5-yl)-1H-1,2,3-triazole and its 1D sodium complex: synthesis and properties RSC Adv., 2016 |
| 7038830 | CIF | C20 H12 P2 S4 | P -1 | 7.5926; 7.7769; 9.5253 100.33; 112.832; 105.952 | 471.75 | Kirst, Christin; Bode, Bela E.; Cordes, David B.; Nejman, Phillip S.; Slawin, Alexandra M. Z.; Karaghiosoff, Konstantin; Woollins, J. Derek Diphosphane 2,2'-binaphtho[1,8-de][1,3,2]dithiaphosphinine and the easy formation of a stable phosphorus radical cation. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6348-6351 |
| 4037029 | CIF | C9 H11 N O2 S | P 1 n 1 | 5.641; 8.206; 10.243 90; 94.7605; 90 | 472.5 | Aitken, R. Alan; Harper, Andrew D.; Slawin, Alexandra M. Z. Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one. The Journal of organic chemistry, 2016, 81, 10527-10531 |
| 2311333 | CIF | C6 H5 K2 Na O7 | P -1 | 5.5128; 7.6258; 11.3712 83.4276; 88.991; 84.3488 | 472.58 | Rammohan, Alagappa; Kaduk, James A. Sodium dipotassium citrate, NaK2C6H5O7. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 403-406 |
| 3500029 | CIF HKL | C10 H7 Cl O2 S | P -1 | 5.0373; 8.7819; 11.2288 73.632; 85.635; 82.993 | 472.58 | Thierry Maris 2-Naphthylsulfonyl chloride Personal communication to COD, 2016 |
| 2311332 | CIF Paper | C6 H5 K2 Na O7 | P -1 | 5.51284; 7.62583; 11.37121 83.4276; 88.991; 84.3488 | 472.586 | Rammohan, Alagappa; Kaduk, James A. Sodium dipotassium citrate, NaK2C6H5O7. Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 403-406 |
| 4086777 | CIF | C7 H8 Co N3 O3 | P -1 | 7.1478; 7.763; 9.4028 75.97; 71.492; 76.53 | 473.05 | Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes Organometallics, 2016 |
| 4088748 | CIF | C7 H8 Co N3 O3 | P -1 | 7.1478; 7.763; 9.4028 75.97; 71.492; 76.53 | 473.05 | Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes Organometallics, 2016, 35, 2806 |
| 7223891 | CIF | Fe2 K S16 V8 | C 1 2/m 1 | 17.465; 3.2929; 8.473 90; 103.824; 90 | 473.2 | Sui, Lifang; Zhang, Xian; Tian, Zhangliu; Huang, Rongtie; Zhang, Hui; Cheng, Jinrong; Huang, Fu Qiang Synthesis, Crystal Structure and Physical Properties of FeV4S8 and KFe2V8S16 RSC Adv., 2016 |
| 4130461 | CIF | C24 H28 N2 | P -1 | 7.388; 7.625; 9.047 101.595; 103.106; 99.662 | 473.9 | Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores. Journal of the American Chemical Society, 2016, 138, 8194-8206 |
| 7223848 | CIF | C14 H26 O2 Pd S4 | P -1 | 6.8083; 7.5446; 10.4837 101.008; 98.983; 112.048 | 474.33 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 7124817 | CIF | C10 H13 N O3 | P -1 | 6.69; 8.863; 9.115 107.219; 111.191; 92.478 | 474.4 | Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V. Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls. Chemical communications (Cambridge, England), 2016, 52, 9945-9948 |
| 7225491 | CIF | C9 H7 Cl N4 O | P 1 c 1 | 3.7737; 14.259; 8.993 90; 101.23; 90 | 474.6 | Safin, Damir A.; Robeyns, Koen; Garcia, Yann 1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties CrystEngComm, 2016, 18, 7284 |
| 1544771 | CIF HKL | C8 H11 N5 O | P -1 | 7.8989; 8.088; 8.2052 90.297; 113.319; 98.488 | 474.94 | El Bakri, Youness; Harmaoui, Abdallah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 9-Ethyl-6-methyl-7<i>H</i>-1,2,4-triazolo[4,3-<i>b</i>][1,2,4]triazepin-8(9<i>H</i>)-one IUCrData, 2016, 1, x161897 |
| 7225590 | CIF | C3 H8 N10 O5 | P -1 | 7.13; 8.1314; 9.0571 83.381; 71.653; 72.486 | 475.18 | Huang, Haifeng; Shi, Yameng; Li, Ying; Liu, Yanfang; Yang, Jun Thermally Stable Energetic Salts Based on 3-Nitramino-4-tetrazole-furazan RSC Adv., 2016 |
| 4125398 | CIF | C8 F4 N3 S2 | P -1 | 7.5808; 8.0566; 9.5091 65.799; 69.047; 67.515 | 475.36 | Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M. Studies on a "Disappearing Polymorph": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•). Journal of the American Chemical Society, 2016, 138, 16779-16786 |
| 7223843 | CIF | C14 H26 O2 Pd S4 | P -1 | 7.0663; 8.4457; 9.2536 63.74; 73.752; 83.782 | 475.4 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 8106955 | CIF | C9 H12 N2 O2 | P -1 | 6.6954; 7.6325; 9.8928 95.908; 92.81; 108.36 | 475.49 | Radi, Smaail; Tighadouini, Said; Hadda, Taibi Ben; Akkurt, Mehmet; Özdemir, Namık; Sirajuddin, Muhammad; Mabkhot, Yahia N. Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 617-618 |
| 1555503 | CIF | C11 H12 O3 | P -1 | 7.2646; 8.0955; 8.184 90.831; 97.639; 93.425 | 476.06 | More, Atul A.; Ramana, Chepuri V. Total Synthesis of Integrastatin B Enabled by a Benzofuran Oxidative Dearomatization Cascade. Organic letters, 2016, 18, 1458-1461 |
| 4002663 | CIF | Ba2 Bi2 O2 Se3 | P 1 21/c 1 | 9.82047; 4.19033; 13.90442 90; 123.692; 90 | 476.073 | Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M. Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3 Chemistry of Materials, 2016, 28, 890 |
| 4347932 | CIF | C10 H9 Cu I N | P -1 | 4.4014; 9.918; 11.177 88.16; 82.21; 80.18 | 476.3 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7041101 | CIF | C3 H9 Cl N4 O7 | P -1 | 6.7434; 7.8045; 10.0663 90.393; 98.8; 114.135 | 476.36 | Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C. Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18909-18920 |
| 7125061 | CIF | C20 H16 F2 N6 O4 | P -1 | 5.502; 8.865; 10.409 107.757; 97.878; 93.199 | 476.4 | Duncan, Andrew J. E.; Dudovitz, Roxanne L.; Dudovitz, Shawna J.; Stojaković, Jelena; Mariappan, S. V. Santhana; MacGillivray, Leonard R. Quantitative and regiocontrolled cross-photocycloaddition of the anticancer drug 5-fluorouracil achieved in a cocrystal. Chemical communications (Cambridge, England), 2016, 52, 13109-13111 |
| 8107007 | CIF | C2 H3 Cu N4 S | P 1 21/c 1 | 8.6567; 4.9722; 12.0437 90; 112.676; 90 | 478.32 | Liu, Gang; Zhang, Shuang Crystal structure of poly[(μ4-1-methyl-1H-tetrazole-5-thiolato-κ3 S:S:N:N′)copper(I)], C2H3CuN4S Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 791-792 |
| 4348819 | CIF | C12 Co O20 U2 | P -1 | 6.8061; 8.2468; 9.0956 103.824; 94.823; 102.719 | 478.51 | Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process. Inorganic chemistry, 2016, 55, 10453-10466 |
| 7225650 | CIF | C6 H4 Cl2 Cu O6 | P 1 21/c 1 | 8.0866; 4.8324; 12.9148 90; 108.388; 90 | 478.91 | Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization RSC Adv., 2016 |
| 1543389 | CIF | C9 H11 N O5 | P 1 21 1 | 8.0163; 5.9409; 10.63 90; 108.56; 90 | 479.91 | Gutiérrez-Jiménez, Marta I; Aydillo, Carlos; Navo, Claudio D.; Avenoza, Alberto; Corzana, Francisco; Jiménez-Osés, Gonzalo; Zurbano, María M; Busto, Jesús H; Peregrina, Jesús M Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition. Organic letters, 2016, 18, 2796-2799 |
| 7040751 | CIF | C10 H6 Br2 N2 | P 1 21/n 1 | 3.9238; 15.66; 7.824 90; 93.273; 90 | 480 | Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J. Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17807-17823 |
| 7225668 | CIF | C20 H20 Cl2 N2 O4 | P -1 | 7.6305; 8.3081; 8.4348 65.839; 80.61; 88.28 | 480.94 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
| 7225669 | CIF | C20 H20 Cl2 N2 O4 | P -1 | 7.6305; 8.3081; 8.4348 65.839; 80.61; 88.28 | 480.94 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
| 2311688 | CIF Paper | C4 H4 O4 | P 1 21/c 1 | 7.1511; 10.1107; 7.6405 90; 119.405; 90 | 481.26 | Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 160-163 |
| 7036977 | CIF | C7 H12 I N S | P -1 | 7.2083; 8.0237; 8.88 78.772; 82.519; 73.702 | 481.96 | Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B. A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 2138-2147 |
| 7040803 | CIF | C2 H Cu N4 O2 | P 21 21 21 | 4.8489; 9.475; 10.518 90; 90; 90 | 483.23 | Qu, Xiaoni; Zhai, Lianjie; Wang, Bozhou; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli Copper-based energetic MOFs with 3-nitro-1H-1,2,4-triazole: solvent-dependent syntheses, structures and energetic performances. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17304-17311 |
| 7119359 | CIF | C9 H6 Cl2 N O3 | P -1 | 3.777; 10.382; 13.45 68.43; 85.15; 80.26 | 483.3 | Subhankar; Saha; Gautam; R.; Desiraju Using structural modularity in cocrystals to engineer properties: elasticity Chem.Commun., 2016, 52, 7676 |
| 7224788 | CIF | C11 H16 N2 O | P -1 | 7.0048; 8.453; 9.3834 66.49; 81.84; 71.705 | 483.6 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 7223844 | CIF | C14 H26 O2 Pd S4 | P -1 | 6.1398; 6.7176; 11.9393 90.02; 99.397; 95.377 | 483.63 | Tan, Yee Seng; Halim, Siti Nadiah Abdul; Molloy, Kieran C.; Sudlow, Anna L.; Otero-de-la-Roza, A.; Tiekink, Edward R. T. Persistence of C‒H⋯π(chelate ring) interactions in the crystal structures of Pd(S2COR)2. The utility of Pd(S2COR)2as precursors for palladium sulphide materials CrystEngComm, 2016, 18, 1105 |
| 2241657 | CIF HKL Paper | C3 H10 Cl Mn N3 O6 | P -1 | 6.74; 7.514; 9.81 84.46; 78.15; 88.57 | 484 | Sehimi, Hiba; Chérif, Ichraf; Zid, Mohamed Faouzi Crystal structure and spectroscopic analysis of a new oxalate-bridged Mn^II^ compound: <i>catena</i>-poly[guanidinium [[aquachloridomanganese(II)]-μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] monohydrate] Acta Crystallographica Section E, 2016, 72, 724-729 |
| 7235038 | CIF | H12 Mg O10 P Rb | P m n 21 | 6.896; 6.191; 11.341 90; 90; 90 | 484.2 | Yuqiao Zhou; Liling Cao; Chensheng Lin; Min Luo; Tao Yan; Ning Ye; Wendan Cheng AMgPO4.6H2O (A = Rb, Cs): strong SHG responses originated from orderly PO4 groups Journal of Materials Chemistry C, 2016, 4, 9219-9226 |
| 1542547 | CIF | C18 H16 B2 F8 N4 | P -1 | 7.547; 7.886; 8.992 66.005; 85.305; 83.508 | 485.4 | Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K. A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform Chem. Sci., 2016, 7, 3820 |
| 8106889 | CIF | C10 H11 Cl O2 | P -1 | 7.8485; 8.042; 8.8701 107.434; 106.307; 101.971 | 485.98 | Li, Meng; Bai, XueFeng; Hou, YanJun The crystal structure of 1-(4-(2-chloroethoxy)phenyl)ethanone Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 407-408 |
| 1543477 | CIF HKL Paper | C18 H16 Cl2 N4 O2 S2 | P -1 | 6.0099; 8.7905; 9.2603 91.03; 91.835; 94.878 | 487.09 | Abusaadiya, Salima M.; Yamin, Bohari M.; Ngatiman, Fadzlee; Hasbullah, Siti Aishah 1,1'-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea] IUCrData, 2016, 1, x160927 |
| 7226825 | CIF | C18 H16 N14 O2 Zn | P -1 | 7.4214; 7.6426; 9.4988 99.814; 97.755; 110.091 | 487.55 | Du, Jian-Long; Li, Chao-Ping; Gao, Ju-Ping; Zhang, Xiao-Ying; Jing, Xu; Mu, Yajuan; Li, Li-Jun Zn(II) and Cd(II) coordination networks based on N-donor ligand: synthesis, crystal structures, and sensing of nitroaromatic explosives RSC Adv., 2016 |
| 1561338 | CIF | C6 H7 Hg2 O4 P | P 1 21 1 | 4.9842; 5.7158; 17.259 90; 97.398; 90 | 487.59 | Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates Journal of Solid State Chemistry, 2016, 243, 83-94 |
| 2311695 | CIF Paper | C18 H20 N4 O8 | P -1 | 3.81737; 9.60821; 13.36297 94.2993; 91.7434; 91.7142 | 488.268 | Solovyov, Leonid A. Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 738-743 |
| 7118583 | CIF | C9 H10 F3 N O2 P0.5 | P -1 | 5.5647; 5.8519; 15.82 85.376; 86.255; 72.178 | 488.4 | d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study. Chemical communications (Cambridge, England), 2016, 52, 1899-1902 |
| 1551608 | CIF | C10 H8 F N O4 | P -1 | 6.716; 8.323; 9.453 82.75; 86.17; 68.75 | 488.41 | GUILLON, Jean; RONGA, Luisa; MARCHIVIE, Mathieu; MOREAU, Stéphane Crystal Structure of (<i>E</i>)-1-(3,4-Methylenedioxy-6-fluorophenyl)-2-nitropropene X-ray Structure Analysis Online, 2016, 32, 23 |
| 7223346 | CIF | C11 H9 N2 O3 | P -1 | 4.9838; 9.8417; 10.3031 100.059; 100.517; 91.372 | 488.42 | Tarai, Arup; Baruah, Jubaraj B. Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis CrystEngComm, 2016, 18, 298 |
| 4349022 | CIF | C6 H9 Gd O9 | P 1 21 1 | 8.1242; 8.0394; 8.4324 90; 117.49; 90 | 488.57 | Qiu, Jiang-Zhen; Chen, Yan-Cong; Wang, Long-Fei; Li, Quan-wen; Orendáč, Martin; Tong, Ming-Liang The effect of magnetic coupling on magneto-caloric behaviour in two 3D Gd(iii)‒glycolate coordination polymers Inorganic Chemistry Frontiers, 2016, 3, 150 |
| 4347931 | CIF | C10 H9 Cu I N | P -1 | 4.4163; 9.983; 11.376 87.95; 81.4; 80.17 | 488.6 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7225888 | CIF | C7 H9 Br N2 O4 | P 1 21 1 | 7.2825; 8.8079; 8.0544 90; 108.936; 90 | 488.68 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 1544035 | CIF | C20 H14 N4 O2 S2 | P 1 | 5.3047; 9.4281; 10.3733 73.857; 79.443; 83.488 | 488.84 | Alpugan, Serkan; Ekineker, Gülçin; Ahsen, Vefa; Berber, Savaş; Önal, Emel; Dumoulin, Fabienne Bisphthalonitrile with a Disulfide-Based Linker and its Dimethylene Analogue: Comparative Structural Insights Crystals, 2016, 6, 89 |
| 4347930 | CIF | C10 H9 Cu I N | P -1 | 4.42006; 9.9972; 11.37 87.979; 81.364; 80.105 | 489.31 | Aguirrechu-Comerón, Amagoia; Hernández-Molina, Rita; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Rodríguez-Mendoza, Ulises R; Lavín, V\?íctor; Angel, Ross J.; Gonzalez-Platas, Javier Experimental and ab Initio Study of Catena(bis(μ2-iodo)-6-methylquinoline-copper(I)) under Pressure: Synthesis, Crystal Structure, Electronic, and Luminescence Properties. Inorganic chemistry, 2016, 55, 7476-7484 |
| 7037267 | CIF | K6 O2 Se6 Tl2 | P -1 | 7.6343; 8.3256; 8.4777 94.535; 103.25; 108.831 | 489.53 | Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S. Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5958-5967 |
| 7225353 | CIF | C24 H18 N6 | P -1 | 6.899; 8.655; 9.67 70.09; 69.22; 69.33 | 489.6 | Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole RSC Adv., 2016 |
| 4517004 | CIF | C11 H10 O5 | P -1 | 5.6317; 7.7476; 11.7256 96.036; 92.324; 104.799 | 490.69 | Wilson, Jedediah; Chen, Eugene Y.-X. Organocatalytic Cross-Coupling of Biofuranics to Multifunctional Difuranic C11 Building Blocks ACS Sustainable Chemistry & Engineering, 2016, 4, 4927 |
| 7226154 | CIF | C4 H4 Cu K2 O10 | P -1 | 6.904; 8.66; 8.929 107.95; 99.637; 97.637 | 490.9 | Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D. Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration CrystEngComm, 2016, 18, 5062 |
| 4131119 | CIF | C11 H11 F O3 | P 1 21 1 | 4.5174; 6.8284; 15.9328 90; 92.4936; 90 | 491.01 | Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N. Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source. Journal of the American Chemical Society, 2016, 138, 13858-13861 |
| 1542484 | CIF HKL | C14 H28 N2 O8 S2 | P 1 | 5.0283; 5.058; 20.8394 86.645; 83.338; 68.908 | 491.08 | Nageshwari, M.; Kumaresan, S.; Caroline, M. Lydia; Mani, G.; Kumari, C. Rathika Thaya; Sudha, S.; Jayaprakash, P. <small>L</small>-Methionine‒succinic acid (2/1) IUCrData, 2016, 1, x152459 |
| 2241432 | CIF HKL Paper | C3 H O6 Tb | P n m a | 7.0138; 10.6077; 6.6021 90; 90; 90 | 491.2 | Kittipong, Chainok; Khemthong, Phailyn; Kielar, Filip; Zhou, Yan Crystal structure of a mixed-ligand terbium(III) coordination polymer containing oxalate and formate ligands, having a three-dimensional fcu topology Acta Crystallographica Section E, 2016, 72, 87-91 |
| 7226507 | CIF | C H2 Cl Hg N5 | P 1 21/n 1 | 8.1233; 6.9274; 8.7456 90; 93.122; 90 | 491.41 | Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands CrystEngComm, 2016, 18, 7865 |
| 1551316 | CIF | C7 H14 N O4 Re | P m n 21 | 8.9571; 5.9973; 9.1546 90; 90; 90 | 491.77 | Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules Nature Chemistry, 2016, 8, 946-952 |
| 1555923 | CIF | C11 H12 N2 O2 | P 1 21 1 | 6.9214; 6.4235; 11.479 90; 105.437; 90 | 491.94 | Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W. Synthesis of Chiral Azabicycles from Pyroglutaminols. Organic letters, 2016, 18, 5748-5751 |
| 4125072 | CIF | Ba Hg Se2 | P m c 21 | 4.358; 14.881; 7.59 90; 90; 90 | 492.22 | Li, Chao; Yin, Wenlong; Gong, Pifu; Li, Xiaoshuang; Zhou, Molin; Mar, Arthur; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian Trigonal Planar [HgSe3](4-) Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability. Journal of the American Chemical Society, 2016, 138, 6135-6138 |
| 7224787 | CIF | C11 H16 N2 O | P -1 | 7.0242; 8.496; 9.475 66.75; 81.96; 71.38 | 492.3 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 8106814 | CIF | C12 H18 Mn O14 S2 | P -1 | 6.5076; 8.4923; 9.8092 66.618; 86.903; 82.235 | 493.02 | Zhao, Yan; Li, Shi-Hui; Zhang, Li Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C12H18MnO14S2 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 165-167 |
| 4125399 | CIF | C8 F4 N3 S2 | P -1 | 7.7121; 8.0974; 9.705 65.868; 67.908; 67.474 | 493.28 | Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M. Studies on a "Disappearing Polymorph": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•). Journal of the American Chemical Society, 2016, 138, 16779-16786 |
| 7235037 | CIF | Cs H12 Mg O10 P | P 63 m c | 6.9099; 6.9099; 11.9332 90; 90; 120 | 493.44 | Yuqiao Zhou; Liling Cao; Chensheng Lin; Min Luo; Tao Yan; Ning Ye; Wendan Cheng AMgPO4.6H2O (A = Rb, Cs): strong SHG responses originated from orderly PO4 groups Journal of Materials Chemistry C, 2016, 4, 9219-9226 |
| 4036778 | CIF | C9 H16 N2 O3 | P -1 | 5.799; 8.02; 11.532 84.05; 77.38; 70.7 | 493.67 | Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues. The Journal of organic chemistry, 2016, 81, 3848-3859 |
| 1542571 | CIF | C8 H11 N O4 S | P -1 | 6.4922; 8.38; 9.896 74.212; 73.241; 80.346 | 493.74 | Mommer, Stefan; Truong, Khai-Nghi; Keul, Helmut; Möller, Martin An epoxy thiolactone on stage: four component reactions, synthesis of poly(thioether urethane)s and the respective hydrogels Polym. Chem., 2016, 7, 2291 |
| 7225352 | CIF | C14 H10 N2 | P 1 21/c 1 | 10.7559; 5.60116; 8.3291 90; 99.8276; 90 | 494.428 | Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole RSC Adv., 2016 |
| 2020575 | CIF HKL | C4 H6 N4 | P 1 21/c 1 | 12.033; 4.0256; 11.5992 90; 118.346; 90 | 494.5 | Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C, 2016, 72 |
| 4129761 | CIF | C4 Mn17 Si2 | P 1 21/m 1 | 6.4114; 7.6648; 10.4946 90; 106.247; 90 | 495.13 | Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C. Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4. Journal of the American Chemical Society, 2016, 138, 248-256 |
| 7125116 | CIF | C12 H8 F2 O S | P -1 | 6.924; 8.665; 8.772 108.778; 94.634; 90.55 | 496.3 | Tsao, Fu An; Waked, Alexander E.; Cao, Levy; Hofmann, Jordan; Liu, Lei; Grimme, Stefan; Stephan, Douglas W. S(vi) Lewis acids: fluorosulfoxonium cations. Chemical communications (Cambridge, England), 2016, 52, 12418-12421 |
| 1548256 | CIF | C20 H20 B2 Cl2 N4 | P -1 | 6.7243; 8.4506; 9.7798 76.647; 85.978; 66.7788 | 496.77 | Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo Ambiphilic boron in 1,4,2,5-diazadiborinine Nature Communications, 2016, 7, 11871 |
| 7226478 | CIF | C Cl2 N O P | P 1 21/c 1 | 10.8078; 6.1587; 7.7148 90; 104.196; 90 | 497.83 | Li, Dingqing; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Willner, Helge; Zeng, Xiaoqing Dichlorophosphanyl isocyanate - spectroscopy, conformation and molecular structure in the gas phase and the solid state. Physical chemistry chemical physics : PCCP, 2016, 18, 26245-26253 |
| 1543481 | CIF HKL Paper | C11 H14 O3 | P -1 | 5.7659; 8.5396; 10.804 81.579; 88.02; 71.167 | 498.02 | Knight, Kyle S.; Orick, Michael C. 4-[(<i>E</i>)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol IUCrData, 2016, 1, x160936 |
| 4125400 | CIF | C8 F4 N3 S2 | P -1 | 7.755; 8.128; 9.746 65.67; 67.56; 67.47 | 498.4 | Beldjoudi, Yassine; Arauzo, Ana; Palacio, Fernando; Pilkington, Melanie; Rawson, Jeremy M. Studies on a "Disappearing Polymorph": Thermal and Magnetic Characterization of α-p-NCC6F4CNSSN(•). Journal of the American Chemical Society, 2016, 138, 16779-16786 |
| 7223282 | CIF | C13 H9 F2 N O | P -1 | 5.4385; 7.5939; 12.8178 106.251; 100.337; 90.203 | 499.16 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 4348956 | CIF | C18 H12 Cu3 N2 O12 | P -1 | 5.7384; 9.5708; 10.0605 65.924; 81.885; 86.47 | 499.41 | Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials. Inorganic chemistry, 2016, 55, 11230-11248 |
| 7155333 | CIF | C12 H10 N4 | P -1 | 7.5325; 8.2606; 9.0301 73.705; 83.998; 68.21 | 500.78 | Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition. Organic & biomolecular chemistry, 2016, 14, 11061-11064 |
| 2020572 | CIF HKL Paper | C22 H40 N4 | P -1 | 5.299; 9.072; 10.604 92.3; 90.1; 99.61 | 502.18 | Moon, Dohyun; Hong, Yong Pyo; Choi, Jong-Ha Spectroscopic characterization and molecular structure of 3,14-dimethyl-2,6,13,17-tetraazapentacyclo[16.4.0.1^2,17^.1^6,13^.0^7,12^]tetracosane Acta Crystallographica Section C, 2016, 72 |
| 8106819 | CIF | C14 H26 N2 O12 Zn | P -1 | 7.051; 7.807; 9.752 79.374; 86.453; 72.699 | 503.7 | Yang, Zhi-Jun; Ni, Tian-Jun; He, Guang-Jie Crystal structure of catena-poly[tetraaqua-(μ 2-4,4′-bipyridine-k2 N:N′)-zinc(II)] fumarate tetrahydrate, C14H26N2O12Zn Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 183-184 |
| 2020594 | CIF HKL Paper | C4 H6 O3 | P b c n | 8.0707; 7.8733; 7.9305 90; 90; 90 | 503.93 | Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W. Acetic anhydride at 100K: the first crystal structure determination Acta Crystallographica Section C, 2016, 72, 753-757 |
| 7234573 | CIF | Fe0.18 Mo0.15 O Pb0.33 | F m -3 m | 7.96476; 7.96476; 7.96476 90; 90; 90 | 505.264 | F. Mezzadri; D. Delmonte; F. Orlandi; C. Pernechele; G. Calestani; M. Solzi; M. Lantieri; G. Spina; R. Cabassi; F. Bolzoni; M. Fittipaldi; M. Merlini; A. Migliori; P. Manuel; E. Gilioli Structural and magnetic characterization of the double perovskite Pb2FeMoO6 Journal of Materials Chemistry C, 2016, 4, 1533-1542 |
| 4130304 | CIF | C23 H38 O3 | P 1 | 6.2267; 6.7164; 13.4269 77.552; 80.072; 68.189 | 506.43 | Obradors, Carla; Martinez, Ruben M.; Shenvi, Ryan A. Ph(i-PrO)SiH2: An Exceptional Reductant for Metal-Catalyzed Hydrogen Atom Transfers. Journal of the American Chemical Society, 2016, 138, 4962-4971 |
| 7226826 | CIF | C18 H16 Cd N14 O2 | P -1 | 7.5563; 7.734; 9.5778 99.045; 98.024; 110.369 | 506.66 | Du, Jian-Long; Li, Chao-Ping; Gao, Ju-Ping; Zhang, Xiao-Ying; Jing, Xu; Mu, Yajuan; Li, Li-Jun Zn(II) and Cd(II) coordination networks based on N-donor ligand: synthesis, crystal structures, and sensing of nitroaromatic explosives RSC Adv., 2016 |
| 7224085 | CIF | B2 O6 Rb Sb | C 1 c 1 | 11.7148; 7.1633; 7.4109 90; 125.435; 90 | 506.71 | Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups CrystEngComm, 2016, 18, 1655 |
| 7119235 | CIF | C11 H11 N O4 | P -1 | 3.8385; 10.348; 12.844 93.967; 90.145; 95.188 | 506.85 | Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D. An α-helical peptidomimetic scaffold for dynamic combinatorial library formation. Chemical communications (Cambridge, England), 2016, 53, 313-316 |
| 1561337 | CIF | C4 H10 Hg2 O6 P2 | P 1 21/c 1 | 9.4564; 7.7843; 6.9497 90; 97.781; 90 | 506.87 | Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates Journal of Solid State Chemistry, 2016, 243, 83-94 |
| 7224786 | CIF | C11 H16 N2 O | P -1 | 7.081; 8.559; 9.604 67; 81.82; 71.19 | 507.1 | Zielinski, Witold; Katrusiak, Andrzej Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole CrystEngComm, 2016, 18, 3211 |
| 1543545 | CIF | Ba H4 O6 Te | P 1 21/n 1 | 7.8271; 7.9998; 8.4624 90; 106.443; 90 | 508.2 | Matthias Weila; Berthold Stogera; Christian Gierl-Mayerb; Eugen Libowitzkyc Structural insights into the thermal decomposition sequence of barium tetrahydrogenorthotellurate(VI), Ba[H4TeO6] Journal of Solid State Chemistry, 2016, 241, 187-197 |
| 7227008 | CIF | C7 H8 Br2 N3 O2 | P -1 | 7.714; 8.0925; 9.1626 64.045; 81.55; 85.532 | 508.65 | Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems CrystEngComm, 2016, 18, 9325 |
| 7225195 | CIF | C11 H12 O4 | P -1 | 3.9208; 11.0581; 12.1034 79.857; 86.846; 80.343 | 509.07 | Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V. Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization CrystEngComm, 2016, 18, 4708 |
| 8107107 | CIF | C12 H22 Cd N4 O14 | P -1 | 7.188; 8.895; 9.771 63.148; 76.75; 66.225 | 509.2 | Xiong, Zhi-Qiang; Song, Xiu-Ying; Nie, Xu-Liang Crystal structure of diaqua-bis(2-methyl-1H-imidazole-4,5-dicarboxylato-κ2-O,N)cadmium(II) tetrahydrate, C12H22CdN4O14 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 1085-1086 |
| 7224007 | CIF | C4 H10 Cu I N2 S2 | P -1 | 7.4292; 8.0762; 9.614 107.059; 90.971; 110.972 | 510.1 | Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands CrystEngComm, 2016, 18, 1809 |
| 4125188 | CIF | Ca6 Fe0.52 Li0.48 N3 Te2 | P 42/m | 8.718; 8.718; 6.719 90; 90; 90 | 510.7 | Dickman, Matthew J.; Latturner, Susan E. Metal nitrides grown from Ca/Li flux: Ca6Te3N2 and new nitridoferrate(I) Ca6(LixFe1-x)Te2N3. Journal of the American Chemical Society, 2016 |
| 9017708 | CIF | Fe0.774 H6 Mn0.282 O6 S | P 1 21/n 1 | 6.633; 8.831; 8.773 90; 96.106; 90 | 510.972 | Vignola, P.; Gatta, G. D.; Rotiroti, N.; Gentile, P.; Hatert, F.; Baijot, M.; Bersani, D.; Risplendente, A.; Pavese, A. Albertiniite, Fe2+(SO3)*3H2O, a new sulfite mineral species from the Monte Falo Pb-Zn mine, Coiromonte, Armeno Municipality, Verbano Cusio Ossola Province, Piedmont, Italy Mineralogical Magazine, 2016, 80, 985-994 |
| 7225252 | CIF | C4 H8 O2 | P -1 | 5.9523; 6.7864; 12.7209 87.987; 89.585; 84.399 | 511.08 | McFarlane, Andrew R.; Geller, Hannah; Silverwood, Ian P.; Cooper, Richard I.; Watkin, David J.; Parker, Stewart F.; Winfield, John M.; Lennon, David The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica. Physical chemistry chemical physics : PCCP, 2016, 18, 17210-17216 |
| 7225571 | CIF | C11 H7 O5 Pb | P -1 | 6.881; 7.7133; 9.8423 94.799; 98.494; 96.112 | 511.09 | Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems CrystEngComm, 2016, 18, 5901 |
| 2241698 | CIF HKL Paper | Fe Mg Mo3 Na O12 | P -1 | 6.9; 6.928; 11.055 80.24; 83.55; 80.22 | 511.3 | Mhiri, Manel; Badri, Abdessalem; Ben Amara, Mongi Synthesis and crystal structure of NaMgFe(MoO~4~)~3~ Acta Crystallographica Section E, 2016, 72, 864-867 |
| 2241752 | CIF HKL Paper | Al7.92 Be Cr0.15 Mg2.92 O16 | P -3 m 1 | 5.6788; 5.6788; 18.3368 90; 90; 120 | 512.11 | Malcherek, Thomas; Schlüter, Jochen Crystal structure of Cr-bearing Mg~3~BeAl~8~O~16~, a new polytype of magnesiotaaffeite-2<i>N</i>'2<i>S</i> Acta Crystallographica Section E, 2016, 72, 1060-1063 |
| 7225604 | CIF | C13 H9 F2 N O | P -1 | 5.4519; 7.7415; 12.9335 106.965; 100.535; 90.213 | 512.37 | Mocilac, P.; Osman, I. A.; Gallagher, J. F. Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid CrystEngComm, 2016, 18, 5764 |
| 8106914 | CIF | C4 H6 Hg N8 S2 | P 1 21/c 1 | 11.8083; 5.6681; 7.689 90; 95.299; 90 | 512.43 | Liu, Gang; Zhang, Shuang Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II) Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 479-480 |
| 7223291 | CIF | C13 H9 F2 N O | P -1 | 5.4838; 7.7928; 12.6887 106.682; 98.87; 90.157 | 512.57 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7225603 | CIF | C13 H9 F2 N O | P -1 | 5.4841; 7.8068; 12.6875 106.756; 98.878; 90.151 | 513.26 | Mocilac, P.; Osman, I. A.; Gallagher, J. F. Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid CrystEngComm, 2016, 18, 5764 |
| 4130462 | CIF | C26 H32 N2 | P -1 | 7.5541; 7.9377; 9.1231 102.214; 102.818; 96.828 | 513.38 | Sasaki, Shunsuke; Suzuki, Satoshi; Sameera, W. M. C.; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores. Journal of the American Chemical Society, 2016, 138, 8194-8206 |
| 7225200 | CIF | C11 H12 O4 | P -1 | 7.5522; 8.1546; 8.99 91.546; 111.209; 94.653 | 513.5 | Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V. Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization CrystEngComm, 2016, 18, 4708 |
| 4349286 | CIF | C10 N4 Ni2 S8 | P -1 | 3.95; 10.125; 13.144 101.311; 90.999; 94.437 | 513.6 | Hayashi, Mikihiro; Otsubo, Kazuya; Maesato, Mitsuhiko; Komatsu, Tokutaro; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi An Electrically Conductive Single-Component Donor-Acceptor-Donor Aggregate with Hydrogen-Bonding Lattice. Inorganic chemistry, 2016, 55, 13027-13034 |
| 7124816 | CIF | C10 H13 N O4 | P 1 21 1 | 4.8503; 17.114; 6.4411 90; 105.911; 90 | 514.2 | Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V. Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls. Chemical communications (Cambridge, England), 2016, 52, 9945-9948 |
| 7236323 | CIF | C4 H20 B2 N P | P 1 21/m 1 | 6.1712; 8.0425; 10.4934 90; 98.806; 90 | 514.67 | Zhang, Wenquan; Qi, Xiujuan; Huang, Shi; Li, Jianling; Tang, Chenglong; Li, Jinshan; Zhang, Qinghua Bis(borano)hypophosphite-based ionic liquids as ultrafast-igniting hypergolic fuels Journal of Materials Chemistry A, 2016, 4, 8978 |
| 7234915 | CIF | C8 H11 B F4 N2 O2 | P 1 | 5.012; 9.4413; 11.0484 88.242; 80.518; 89.255 | 515.41 | Maciej Wojtas; Anna Gagor; Andrei L. Kholkin Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals Journal of Materials Chemistry C, 2016, 4, 7622-7631 |
| 7223345 | CIF | C10 H9 N3 O4 | P -1 | 7.9402; 8.1717; 8.8975 70.343; 89.333; 72.343 | 515.42 | Tarai, Arup; Baruah, Jubaraj B. Oxime synthons in the salts and cocrystals of quinoline-4-carbaldoxime for non-covalent synthesis CrystEngComm, 2016, 18, 298 |
| 1542612 | CIF | C10 H3 Br2 I O2 | P -1 | 7.1805; 8.2069; 10.2503 67.006; 88.761; 69.374 | 515.67 | Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F. Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives Chem. Sci., 2016, 7, 3780 |
| 1561626 | CIF | C12 H8 Hg2 I4 N6 | P -1 | 7.2383; 8.2046; 9.8317 86.452; 78.654; 64.386 | 516.03 | Saghatforoush, Lotfali; Khoshtarkib, Zeinab; Amani, Vahid; Bakhtiari, Akbar; Hakimi, Mohammad; Keypour, Hassan One-dimensional mercury(II) halide coordination polymers of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies Journal of Solid State Chemistry, 2016, 233, 311-319 |
| 4130167 | CIF | C11 H11 Br O2 | P 1 21 1 | 8.205; 7.412; 8.636 90; 100.618; 90 | 516.2 | Garza, Victoria J.; Krische, Michael J. Hydroxymethylation beyond Carbonylation: Enantioselective Iridium-Catalyzed Reductive Coupling of Formaldehyde with Allylic Acetates via Enantiotopic π-Facial Discrimination. Journal of the American Chemical Society, 2016, 138, 3655-3658 |
| 7224801 | CIF | C8 H6 Br4 | P 1 21/c 1 | 6.6114; 8.7776; 9.1807 90; 104.041; 90 | 516.86 | Näther, Christian; Jess, Inke; Kuś, Piotr; Jones, Peter G. Dimorphism of 1,4-dibromo-2,5-bis(bromomethyl)benzene: crystallographic and physico-chemical investigations CrystEngComm, 2016, 18, 3142 |
| 7223283 | CIF | C13 H9 F2 N O | P -1 | 5.13; 8.8893; 11.6782 101.426; 97.174; 90.881 | 517.47 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 2020470 | CIF HKL | C7 H10 N2 O4 S2 | P -1 | 7.0475; 8.9534; 9.2802 115.79; 95.753; 95.791 | 517.72 | Seiler, Vanessa Kristina; Hützler, Wilhelm Maximilian; Bolte, Michael Eight new crystal structures of 5-(hydroxymethyl)uracil, 5-carboxyuracil and 5-carboxy-2-thiouracil: insights into the hydrogen-bonded networks and the predominant conformations of the C5-bound residues Acta Crystallographica Section C, 2016, 72, 379-388 |
| 8106781 | CIF | C11 H10 N2 O S | P 1 c 1 | 12.05; 5.5218; 8.1813 90; 107.934; 90 | 517.9 | Yan, Hao-Jie; Wang, Zhi-Peng; Zhang, Qi-Qi; Chen, Wen-Hua Crystal structure of 4-((pyridin-4-ylmethyl)sulfinyl)pyridine, C11H10N2OS Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 47-48 |
| 1555922 | CIF | C10 H17 N O3 | P 1 21 1 | 5.7737; 7.9024; 11.5568 90; 100.734; 90 | 518.07 | Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W. Synthesis of Chiral Azabicycles from Pyroglutaminols. Organic letters, 2016, 18, 5748-5751 |
| 3500050 | CIF | Ba Cu F7 Ga | C 1 2/c 1 | 10.6199; 9.8809; 5.6263 90; 118.551; 90 | 518.59 | Armel Le Bail BaCuGaF7 fluoride glass recrystallizing at 500 C in the BaCuGFeF7 structure type Personal communication to COD, 2016 |
| 2020577 | CIF HKL | C8 H15 N5 O | P -1 | 8.0055; 8.0256; 9.3143 81.779; 78.053; 62.518 | 518.63 | Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael One barbiturate and two solvated thiobarbiturates containing the triply hydrogen-bonded <i>ADA</i>/<i>DAD</i> synthon, plus one ansolvate and three solvates of their coformer 2,4-diaminopyrimidine Acta Crystallographica Section C, 2016, 72 |
| 1561487 | CIF | Ga3 Ta5 | I 4/m c m | 6.5986; 6.5986; 11.931 90; 90; 90 | 519.49 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 4513910 | CIF | C4 H12 Cl2 O2 Pd S2 | P 1 21/n 1 | 6.266; 9.3515; 9.3563 90; 108.635; 90 | 519.5 | Vemula, Sandeep R.; Kumar, Dinesh; Cook, Gregory R. Palladium-Catalyzed Allylic Amidation with N-Heterocycles via sp3C‒H Oxidation ACS Catalysis, 2016, 6, 5295 |
| 2241849 | CIF HKL Paper | C4 H30 N2 O22 S2 Zn2 | P -1 | 5.9601; 6.767; 13.112 84.955; 83.25; 83.042 | 519.8 | Fortes, A. Dominic; Howard, Christopher M.; Wood, Ian G.; Gutmann, Matthias J. Glycine zinc sulfate pentahydrate, redetermination at 10K from time-of-flight neutron Laue diffraction Acta Crystallographica Section E, 2016, 72, 1438-1445 |
| 7118389 | CIF | C20 H28 Cu N2 O4 | P -1 | 7.5787; 8.0875; 9.6138 72.4479; 68.0319; 85.0439 | 520.8 | Paquet, C.; Lacelle, T.; Deore, B.; Kell, A. J.; Liu, X.; Korobkov, I.; Malenfant, P. R. L. Pyridine-copper(ii) formates for the generation of high conductivity copper films at low temperatures. Chemical communications (Cambridge, England), 2016, 52, 2605-2608 |
| 1542684 | CIF | C13 H10 N2 S | P -1 | 3.9105; 10.8964; 12.403 97.328; 94.957; 92.265 | 521.54 | Sharma, Shivani; Pathare, Ramdas S.; Maurya, Antim K.; Gopal, Kandasamy; Roy, Tapta Kanchan; Sawant, Devesh M.; Pardasani, Ram T. Ruthenium Catalyzed Intramolecular C-S Coupling Reactions: Synthetic Scope and Mechanistic Insight. Organic letters, 2016, 18, 356-359 |
| 1561614 | CIF | Ba Cl F Mn O4 P | P 1 21/c 1 | 7.2208; 8.5351; 8.8698 90; 107.41; 90 | 521.61 | Pei, Da-Ting; Sun, Wei; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao Novel phosphate halides BaMnIII[PO4]FCl and BaMnIII[PO4]F2: Effects of mixed halides on crystal structures and magnetic properties Journal of Solid State Chemistry, 2016, 234, 29-35 |
| 3500043 | CIF | F6 K2 Zr | C 1 2/c 1 | 6.56646; 11.4444; 6.94202 90; 90.5668; 90 | 521.662 | Lubomir Smrcok; Armel Le Bail; Miroslav Boca Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT Personal communication to COD, 2016 |
| 1544467 | CIF | Co Li Mn O4 | F d -3 m | 8.05812; 8.05812; 8.05812 90; 90; 90 | 523.24 | Hamada, Y.; Hamao, N.; Kataoka, K.; Ishida, N.; Idemoto, Y.; Akimoto, J. Single crystal synthesis, crystal structure and electrochemical property of spinel-type LiCoMnO4 as 5 V positive electrode materials Journal of the Ceramic Society of Japan, 2016, 124, 706-710 |
| 1542702 | CIF | C10 H6 F3 N3 O | P -1 | 7.0244; 7.2782; 10.394 99.34; 92.323; 91.732 | 523.55 | Pieber, Bartholomäus; Kappe, C. Oliver Generation and Synthetic Application of Trifluoromethyl Diazomethane Utilizing Continuous Flow Technologies. Organic letters, 2016, 18, 1076 |
| 3500051 | CIF | Ba F7 Ga Zn | P 1 21/c 1 | 5.4045; 10.7701; 9.0421 90; 95.021; 90 | 524.29 | Armel Le Bail BaZnGaF7 fluoride glass recrystallizing at 500 C in the BaMnFeF7 structure type Personal communication to COD, 2016 |
| 7039954 | CIF | C5 H14 Cl2 N6 | P -1 | 7.4185; 7.9458; 9.382 74.7992; 79.8889; 89.0669 | 525.14 | Voitekhovich, Sergei V.; Grigoriev, Yuri V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Ivashkevich, Oleg A. The first organocopper tetrazole derivative: synthesis and characterization. Dalton transactions (Cambridge, England : 2003), 2016, 45, 13406-13414 |
| 7225354 | CIF | C28 H18 N6 | P -1 | 7.0445; 8.9964; 9.7681 74.396; 71.111; 65.2771 | 525.56 | Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole RSC Adv., 2016 |
| 8107043 | CIF | C8 H13 N3 S2 | P -1 | 7.4803; 8.4562; 9.3531 67.688; 74.017; 85.008 | 526.07 | Jambi, Suhair M.S.; Al-Obaid, Abdulrahman M.; Hosten, Eric C.; Betz, Richard; Bari, Ahmed Crystal structure of 1-(4-methylthiazol-2-yl)-3-propylthiourea, C8H13N3S2 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 901-902 |
| 7225705 | CIF | C8 H15 N O2 S2 | P -1 | 5.0968; 6.7869; 16.636 78.801; 87.344; 69.141 | 527.34 | Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M. Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids CrystEngComm, 2016, 18, 5686 |
| 1543171 | CIF HKL | C12 H14 O2 | P -1 | 5.7634; 8.2218; 12.0915 105.541; 102.539; 97.4291 | 528.03 | Kamalini, G. Joseline Sheeba; Sugaraj, Samuel R.; Reuben Jonathan, D.; Revathi, B. K.; Usha, G. (<i>E</i>)-4-(4-Ethoxyphenyl)but-3-en-2-one IUCrData, 2016, 1, x160610 |
| 7234914 | CIF | C8 H11 B F4 N2 O2 | P 1 | 5.0586; 9.4971; 11.2012 87.637; 80.166; 89.255 | 529.76 | Maciej Wojtas; Anna Gagor; Andrei L. Kholkin Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals Journal of Materials Chemistry C, 2016, 4, 7622-7631 |
| 1542491 | CIF HKL Paper | C12 H11 Cl Fe O | P 1 21 1 | 7.4235; 9.6339; 7.5209 90; 99.728; 90 | 530.14 | McAdam, C. John; Simpson, Jim 2-Chloro-1-ferrocenylethanone IUCrData, 2016, 1, x152177 |
| 1543485 | CIF HKL Paper | C8 H13 N7 O2 | P -1 | 7.2648; 8.7228; 8.9297 82.834; 71.465; 85.478 | 531.86 | Lahmidi, Sanae; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.; Zouihri, Hafid 2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate IUCrData, 2016, 1, x160870 |
| 1561458 | CIF | C7 H7 N O8 U | P -1 | 7.3781; 7.9622; 10.404 103.9; 95.5; 113.37 | 531.9 | Si, Zhen-Xiu; Xu, Wei; Zheng, Yue-Qing Synthesis, structure, luminescence and photocatalytic properties of an uranyl-2,5-pyridinedicarboxylate coordination polymer Journal of Solid State Chemistry, 2016, 239, 139-144 |
| 4130898 | CIF | C16 H7 N O3 | P -1 | 7.2916; 8.7529; 9.7443 88.49; 69.51; 67.04 | 532 | Zhylitskaya, Halina; Cybińska, Joanna; Chmielewski, Piotr; Lis, Tadeusz; Stępień, Marcin Bandgap Engineering in π-Extended Pyrroles. A Modular Approach to Electron-Deficient Chromophores with Multi-Redox Activity. Journal of the American Chemical Society, 2016, 138, 11390-11398 |
| 7040837 | CIF | C6 H8 Cu2 I2 N2 | P -1 | 9.9408; 7.60946; 7.63997 98.9803; 96.2793; 108.873 | 532.19 | Farinella, F.; Maini, L.; Mazzeo, P. P.; Fattori, V.; Monti, F.; Braga, D. White luminescence achieved by a multiple thermochromic emission in a hybrid organic-inorganic compound based on 3-picolylamine and copper(i) iodide. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17939-17947 |
| 7224691 | CIF HKL | Ca8.98 Dy0.11 F2 La0.92 O24 P5 Si | P 63/m | 9.42716; 9.42716; 6.92158 90; 90; 120 | 532.718 | Haikun Liu; Libing Liao; Maxim S. Molokeev; Qingfeng Guo; Yuanyuan Zhang; Lefu Mei A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence properties RSC Advances, 2016, 6, 24577-24583 |
| 4347994 | CIF | C12 H12 N2 O3 | P -1 | 7.0858; 7.1022; 11.1505 79.694; 78.502; 78.265 | 532.76 | Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B. Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems. Inorganic chemistry, 2016, 55, 7257-7264 |
| 2020492 | CIF HKL | C10 H26 N4 Ni O14 S2 | P -1 | 6.97; 7.913; 11.391 72.31; 89.57; 64.2 | 533.2 | Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium Acta Crystallographica Section C, 2016, 72, 432-441 |
| 7224690 | CIF HKL | Ca8.88 F2 La1.12 O24 P5 Si | P 63/m | 9.43197; 9.43197; 6.92605 90; 90; 120 | 533.606 | Haikun Liu; Libing Liao; Maxim S. Molokeev; Qingfeng Guo; Yuanyuan Zhang; Lefu Mei A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: synthesis, crystal structure and luminescence properties RSC Advances, 2016, 6, 24577-24583 |
| 1561486 | CIF | Ga3 Ta5 | I 4/m c m | 10.2199; 10.2199; 5.1121 90; 90; 90 | 533.94 | Koffi, Agbelenko; Ade, Martin; Hillebrecht, Harald Single crystal studies of binary compounds Ta/Ga ‒ A system with experimental and crystallographic peculiarities Journal of Solid State Chemistry, 2016, 238, 88-102 |
| 4348452 | CIF | C18 H12 Pd S12 | P -1 | 6.3414; 7.2406; 12.0472 90.203; 96.239; 103.604 | 534.21 | Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2]. Inorganic chemistry, 2016, 55, 7709-7716 |
| 2108352 | CIF HKL Paper | Ca5 Cl0.9 F0.1 O12 P3 | P 63/m | 9.502; 9.502; 6.8356 90; 90; 120 | 534.5 | Christoph, Staehli; Thuering, Juerg; Galea, Laetitia; Tadier, Solene; Bohner, Marc; Doebelin, Nicola Hydrogen-substituted beta-tricalcium phosphate synthesized in organic media Acta Crystallographica, Section B, 2016, 72, 875-884 |
| 1540732 | CIF | C30 H22 N2 | P -1 | 6.1843; 7.4512; 11.96 95.69; 95.67; 100.847 | 534.7 | Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons. Analytical chemistry, 2016, 88, 1195-1201 |
| 7055614 | CIF | C16 H24 Br2 N4 O2 S2 | P -1 | 7.5072; 8.4305; 9.1386 73.216; 85.375; 74.943 | 534.72 | Phukan, Nithi; Baruah, Jubaraj B. Solvent and anion facilitated conformational changes in benzylamine substituted thiazolamine New J. Chem., 2016, 40, 6899 |
| 1561385 | CIF | Ir4 Pb Se8 | C 1 2/m 1 | 15.901; 3.73; 11.035 90; 125.19; 90 | 534.9 | Trump, Benjamin A.; McQueen, Tyrel M. Structure, properties, and disorder in the new distorted-Hollandite PbIr4Se8 Journal of Solid State Chemistry, 2016, 242, 112-119 |
| 4348454 | CIF | C18 H12 Pd S12 | P -1 | 6.3433; 7.2487; 12.0472 90.256; 96.25; 103.62 | 534.9 | Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2]. Inorganic chemistry, 2016, 55, 7709-7716 |
| 4129859 | CIF | C12 H13 N O3 | P 1 21 1 | 8.3112; 7.2566; 8.9068 90; 95.146; 90 | 535.01 | Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones. Journal of the American Chemical Society, 2016, 138, 369-374 |
| 2241953 | CIF HKL Paper | C18 H26 Co N4 O2 S2 | P -1 | 7.7027; 7.8688; 9.197 87.403; 81.419; 76.295 | 535.48 | Suckert, Stefan; Jess, Inke; Näther, Christian Crystal structure of bis(3,5-dimethylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) Acta Crystallographica Section E, 2016, 72, 1824-1826 |
| 7225596 | CIF | C13 H9 F2 N O | P 1 c 1 | 5.2115; 6.4193; 16.1911 90; 97.894; 90 | 536.53 | Mocilac, P.; Osman, I. A.; Gallagher, J. F. Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid CrystEngComm, 2016, 18, 5764 |
| 4348456 | CIF | C18 H12 Pd S12 | P -1 | 6.3499; 7.2662; 12.054 90.32; 96.272; 103.64 | 536.96 | Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2]. Inorganic chemistry, 2016, 55, 7709-7716 |
| 7055863 | CIF | C20 H20 Br2 Cu N4 O4 | P -1 | 7.9693; 8.4129; 9.1302 68.058; 85.402; 71.258 | 537.13 | Czekański, Łukasz; Hoffmann, Stanisław K.; Barczyński, Piotr; Gąsowska, Anna; Bregier-Jarzębowska, Romualda; Zalewska, Alina; Goslar, Janina; Ratajczak-Sitarz, Małgorzata; Katrusiak, Andrzej Crystal structure and physical properties of 1-methyl-3-(carboxymethyl)benzimidazolium betaine·CuBr2 in crystal and water solution New J. Chem., 2016, 40, 10526 |
| 7223288 | CIF | C13 H9 F2 N O | P 1 n 1 | 5.535; 5.035; 19.29 90; 92.048; 90 | 537.2 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7225199 | CIF | C12 H12 O3 | P -1 | 7.738; 8.1099; 10.0048 71.822; 84.921; 64.415 | 537.24 | Veerakanellore, Giri Babu; Captain, Burjor; Ramamurthy, V. Solid-state photochemistry of cis-cinnamic acids: a competition between [2 + 2] addition and cis‒trans isomerization CrystEngComm, 2016, 18, 4708 |
| 1542755 | CIF HKL Paper | C12 H16 O3 | P 1 21/c 1 | 4.5856; 14.2281; 8.3312 90; 98.515; 90 | 537.57 | Wickramasinhage, Ravindra; McAdam, C. John; Simpson, Jim 2,5-Dimethoxy-3,4,6-trimethylbenzaldehyde IUCrData, 2016, 1, x160307 |
| 7038854 | CIF HKL | Ca8.28 La1.72 O26 P6 | P 63/m | 9.4606; 9.4606; 6.9356 90; 90; 120 | 537.591 | Yufei Xia; Jian Chen; Yan-gai Liu; Maxim S. Molokeev; Ming Guan; Zhaohui Huang; Minghao Fang Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca2+xLa8-x(SiO4)6-x(PO4)xO2:Eu2+ Dalton Transactions, 2016, 45, 1007-1015 |
| 2020493 | CIF HKL | C10 H26 N4 O14 S2 Zn | P -1 | 6.977; 7.929; 11.441 72.25; 89.53; 64.45 | 538.2 | Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium Acta Crystallographica Section C, 2016, 72, 432-441 |
| 7226204 | CIF | C3 H10 N9 Na O5 | P 1 n 1 | 11.797; 3.548; 13.404 90; 106.25; 90 | 538.6 | Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime RSC Adv., 2016 |
| 2241551 | CIF HKL Paper | C3 H6 N2 O2 S | P 1 21/n 1 | 9.9388; 5.0999; 10.6755 90; 94.136; 90 | 539.7 | Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G. Crystal structure of <i>N</i>-[(methylsulfanyl)carbonyl]urea Acta Crystallographica Section E, 2016, 72, 325-327 |
| 4130569 | CIF | C23 H22 N2 O6 S | P 1 | 6.2719; 9.7785; 10.0673 115.426; 93.829; 100.896 | 539.9 | Xiao, Kai-Jiong; Chu, Ling; Chen, Gang; Yu, Jin-Quan Kinetic Resolution of Benzylamines via Palladium(II)-Catalyzed C-H Cross-Coupling. Journal of the American Chemical Society, 2016, 138, 7796-7800 |
| 7225867 | CIF | C12 H6 N4 O2 Zn | P 1 c 1 | 4.8185; 10.7128; 10.5491 90; 97.394; 90 | 540.01 | Chen, Xi; Zhang, Biquan; Yu, Fan; Su, Min; Qin, Wenming; Li, Bao; Zhuang, Gui-lin; Zhang, Tianle Synthesis, crystal structure and luminescence studies of zinc(ii) and cadmium(ii) complexes with 6-(1H-tetrazol-5-yl)-2-naphthoic acid CrystEngComm, 2016, 18, 6396 |
| 1543533 | CIF HKL Paper | C8 H10 F3 N3 O3 | P -1 | 4.8087; 11.0283; 11.1135 108.704; 96.174; 100.533 | 540.03 | Jeevaraj, Muthaiah; Edison, Bellarmin; Kavitha, Savaridasson Jose; Thanikasalam, Kanagasabapathy; Britto, Sebastian; Balasubramani, Kasthuri 2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate IUCrData, 2016, 1, x161010 |
| 4348453 | CIF | C18 H12 Pd S12 | P -1 | 6.3609; 7.2892; 12.0695 90.379; 96.298; 103.663 | 540.19 | Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2]. Inorganic chemistry, 2016, 55, 7709-7716 |
| 7118163 | CIF | C11 H14 N2 O4 | P -1 | 4.6214; 8.2787; 14.248 92.962; 94.351; 95.33 | 540.25 | Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed Gelation by supramolecular dimerization of mono(urea)s Chem.Commun., 2016, 52, 198 |
| 1545048 | CIF | H0.162 Mg1.8965 O4 Si1.001 | I m m a | 5.6865; 11.515; 8.2545 90; 90; 90 | 540.51 | Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C. Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K Scientific Reports, 2016, 6, 34988-- |
| 7118581 | CIF | C9 H10 B F4 N O2 | P -1 | 7.2802; 9.067; 9.7329 115.13; 100.802; 101.825 | 541.32 | d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study. Chemical communications (Cambridge, England), 2016, 52, 1899-1902 |
| 2241632 | CIF HKL Paper | C10 H28 Cr4 N4 O14 | P -1 | 8.5361; 8.6272; 8.8576 77.761; 72.307; 60.985 | 541.81 | Vetrivel, S.; Vinoth, E.; Mullai, R. U.; Aruljothi, R.; NizamMohideen, M. Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)] Acta Crystallographica Section E, 2016, 72, 616-619 |
| 7055216 | CIF | C10 H8 Cl N3 O2 | P -1 | 7.642; 7.933; 9.511 98.77; 104.53; 98.06 | 541.945 | Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, Marcelo N.; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Zarate, Ximena; Schott, Eduardo A family of substituted hydrazonoisoxazolones with potential biological properties New J. Chem., 2016, 40, 2156 |
| 7037525 | CIF | C24 H18 Cu N8 O2 | P -1 | 3.8316; 8.6029; 16.855 94.24; 96.16; 99.46 | 542.5 | Zhao, Jiong-Peng; Xie, Yabo; Li, Jian-Rong; Bu, Xian-He Structural and magnetic modulations of copper(ii) azido complexes: unexpected in situ reactions of mono-N-donor pyridine-based co-ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 1514-1524 |
| 1542570 | CIF | C13 H10 Cl N O2 | P 1 | 7.02512; 8.17982; 10.0807 104.135; 104.019; 91.6954 | 542.58 | Sanchez-Diez, Eduardo; Vesga, Diana L.; Reyes, Efraim; Uria, Uxue; Carrillo, Luisa; Vicario, Jose L. Organocatalytically Generated Donor-Acceptor Cyclopropanes in Domino Reactions. One-Step Enantioselective Synthesis of Pyrrolo[1,2-a]quinolines. Organic letters, 2016, 18, 1270-1273 |
| 7226070 | CIF | C10 H15 N O S | P -1 | 7.215; 8.581; 9.903 103.094; 93.329; 112.892 | 542.8 | Groves, Brandon R.; Smithen, Deborah A.; Cameron, T. Stanley; Thompson, Alison Thionation reactions of 2-pyrrole carboxylates RSC Adv., 2016, 6, 69691 |
| 4347004 | CIF | C4 H6 Cl4 Cu2 N2 | P 1 21/c 1 | 3.799; 7.908; 18.075 90; 89.94; 90 | 543 | Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role? Inorganic chemistry, 2016, 55, 3759-3766 |
| 7226663 | CIF | C10 H13 F N2 O5 | P 1 21 1 | 8.9716; 5.3099; 11.8624 90; 105.98; 90 | 543.27 | Noonan, T. J.; Mzondo, B.; Bourne, S. A.; Caira, M. R. Polymorphism of the antiviral agent clevudine CrystEngComm, 2016, 18, 8172 |
| 7225597 | CIF | C13 H9 F2 N O | P 1 n 1 | 5.5268; 4.9905; 19.7058 90; 90.665; 90 | 543.48 | Mocilac, P.; Osman, I. A.; Gallagher, J. F. Short C‒H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C‒F/C‒H disorder in a 2 ×6 isomer grid CrystEngComm, 2016, 18, 5764 |
| 7038335 | CIF | C8 H10 Co N4 O6 | P 1 21/c 1 | 5.1082; 11.3902; 9.3932 90; 96.02; 90 | 543.51 | Feng, Chao; Ma, Yu-Heng; Zhang, Duo; Li, Xue-Jing; Zhao, Hong Highly efficient electrochemiluminescence based on pyrazolecarboxylic metal organic framework. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5081-5091 |
| 4348455 | CIF | C18 H12 Pd S12 | P -1 | 6.3704; 7.3181; 12.0808 90.468; 96.332; 103.677 | 543.55 | Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2]. Inorganic chemistry, 2016, 55, 7709-7716 |
| 7223286 | CIF | C13 H7 F4 N O | P -1 | 4.9918; 9.361; 12.0172 102.372; 97.44; 90.222 | 543.59 | Mondal, Pradip Kumar; Chopra, Deepak Crystal structure landscape of conformationally flexible organo-fluorine compounds CrystEngComm, 2016, 18, 48 |
| 7224941 | CIF | C12 H10 N6 | P -1 | 8.1982; 8.2816; 8.8622 102.04; 111.955; 90.162 | 543.61 | Samanta, Suvendu; Ray, Shounak; Ghosh, Abhisek Brata; Biswas, Papu 3, 6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) mediated metal-free mild oxidation of thiols to disulfides in aqueous medium RSC Adv., 2016 |
| 1561360 | CIF | Ga1.67 La3 S7 | P 63 | 10.1772; 10.1772; 6.0648 90; 90; 120 | 544.01 | Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 243, 221-231 |
| 7037853 | CIF | C8 H20 Ca2 N16 O12 | P -1 | 7.555; 7.692; 11.022 75.555; 87.243; 61.775 | 544.7 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3590-3598 |
| 4344577 | CIF | Ag Ge4 Li12 | P b a m | 8.042; 15.1061; 4.4867 90; 90; 90 | 545.06 | Henze, Alexander; Fässler, Thomas F Switching the Structure Type upon Ag Substitution: Synthesis and Crystal as well as Electronic Structures of Li12AgGe4. Inorganic chemistry, 2016, 55, 822-827 |
| 7225153 | CIF | C10 H8 Cl2 N2 Zn | P -1 | 7.5299; 8.7931; 9.0498 112.835; 94.457; 95.707 | 545.06 | Nauha, Elisa; Naumov, Panče; Lusi, Matteo Fine-tuning of a thermosalient phase transition by solid solutions CrystEngComm, 2016, 18, 4699 |
| 7223968 | CIF | C6 H10 O8 U | C 1 2/m 1 | 10.724; 7.721; 6.897 90; 107.246; 90 | 545.4 | Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N. Structural diversity of uranyl acrylates CrystEngComm, 2016, 18, 1723 |
| 4347993 | CIF | C12 H11 Cl N2 O2 | P -1 | 6.8751; 8.0439; 10.0589 92.1523; 96.7115; 98.5268 | 545.51 | Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B. Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems. Inorganic chemistry, 2016, 55, 7257-7264 |
| 7038687 | CIF | C10 H6 Br2 N4 | P 1 21/n 1 | 3.9747; 9.2426; 14.931 90; 95.821; 90 | 545.69 | Kottelat, E.; Ruggi, A.; Zobi, F. Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6920-6927 |
| 1543356 | CIF | C29 H22 O4 | P 1 | 5.105; 9.985; 11.8359 65.909; 85.15; 82.591 | 545.829 | Aida, Yukimasa; Sugiyama, Haruki; Uekusa, Hidehiro; Shibata, Yu; Tanaka, Ken Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Unsymmetrical 1,2-Disubstituted Alkenes. Organic letters, 2016, 18, 2672-2675 |
| 8107006 | CIF | C11 H10 N2 O2 S | P 1 c 1 | 12.0784; 5.3304; 8.937 90; 108.263; 90 | 546.4 | Liu, Rui-Heng; Qin, Zhao-Xian; Guo, Hui Crystal structure of 4-(pyridin-4-ylmethylsulfonyl)pyridine, C11H10N2O2S Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 789-790 |
| 4348871 | CIF | C3 H8 Cl3 Fe K N O5 | P 1 21/m 1 | 8.725; 7.5076; 9.026 90; 112.421; 90 | 546.5 | Mastropietro, Teresa F.; Marino, Nadia; Munno, Giovanni De; Lloret, Francesc; Julve, Miguel; Pardo, Emilio; Armentano, Donatella Selective Guest Inclusion in Oxalate-Based Iron(III) Magnetic Coordination Polymers. Inorganic chemistry, 2016, 55, 11160-11169 |
| 3500038 | CIF HKL | C4 H4 Ca O6 | C 2 2 21 | 7.618; 9.945; 7.219 90; 90; 90 | 546.9 | Armel Le Bail Personal communication to COD, 2016 |
| 7155152 | CIF | C13 H8 N2 O2 S | P -1 | 6.4286; 7.452; 11.707 89.263; 78.416; 84.742 | 547.09 | Salamoun, Joseph M.; McQueeney, Kelley E.; Patil, Kalyani; Geib, Steven J.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter Photooxygenation of an amino-thienopyridone yields a more potent PTP4A3 inhibitor. Organic & biomolecular chemistry, 2016, 14, 6398-6402 |
| 1543736 | CIF HKL | C15 H16 O2 | P 1 21 1 | 8.199; 7.653; 8.986 90; 104.005; 90 | 547.1 | Kotha, Sambasivarao; Bandi, Vijayalakshmi; Gunta, Rama; Gaddamedi, Sreevani Hexacyclo[7.5.1.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane-7,15-dione IUCrData, 2016, 1, x161173 |
| 7224066 | CIF | C9 H14 N O4 P | P 1 21 1 | 6.208; 7.218; 12.496 90; 102.22; 90 | 547.25 | Materna, Magdalena; Stawinski, Jacek; Kiliszek, Agnieszka; Rypniewski, Wojciech; Sobkowski, Michal Oxyonium phosphobetaines ‒ unusually stable nucleophilic catalyst-phosphate complexes formed from H-phosphonates and N-oxides RSC Adv., 2016 |
| 1540587 | CIF | Co2.581 F6 Mn0.419 O6 Sb4 | I -4 3 m | 8.1809; 8.1809; 8.1809 90; 90; 90 | 547.524 | Svengren, H.; Torapava, N.; Athanassiadis, I.; Ali, S. I.; Johnsson, M. A transition metal oxofluoride offering advantages in electrocatalysis and potential use in applications. Faraday discussions, 2016, 188, 481-498 |
| 2241848 | CIF HKL Paper | C12 H13 N O4 | P -1 | 8.47; 8.51; 8.59 94.04; 111.12; 105.17 | 548 | Poplevin, Dmitry S.; Zubkov, Fedor I.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N. Crystal structures of the two epimers from the unusual thermal C6-epimerization of 5-oxo-1,2,3,5,5a,6,7,9b-octahydro-7,9a-epoxypyrrolo[2,1-<i>a</i>]isoindole-6-carboxylic acid, 5a(<i>RS</i>),6(<i>SR</i>),7(<i>RS</i>),9a(<i>SR</i>),9b(<i>SR</i>) and 5a(<i>RS</i>),6(<i>RS</i>),7(<i>RS</i>),9a(<i>SR</i>),9b(<i>SR</i>) Acta Crystallographica Section E, 2016, 72, 1429-1433 |
| 7124690 | CIF | C2 H4 N6 O2 | P 1 21 1 | 3.5852; 16.3937; 9.4278 90; 98.448; 90 | 548.1 | He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Energetic aminated-azole assemblies from intramolecular and intermolecular N-HO and N-HN hydrogen bonds. Chemical communications (Cambridge, England), 2016, 52, 8123-8126 |
| 1543030 | CIF | C10 H12 B N O4 S | P 1 | 5.8323; 6.989; 13.7431 97.28; 98.85; 91.576 | 548.43 | Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin Fast and selective labeling of N-terminal cysteines at neutral pH via thiazolidino boronate formation. Chemical science, 2016, 7, 4589-4593 |
| 1561361 | CIF | Ag0.6 Ga La3 S7 | P 63 | 10.229; 10.229; 6.0529 90; 90; 120 | 548.48 | Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 243, 221-231 |
| 7037979 | CIF | C16 H28 Br2 N4 Ni O4 | P -1 | 8.195; 8.3725; 8.9081 109.596; 98.327; 101.729 | 548.55 | Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P. Ethylene oligomerization studies by nickel(ii) complexes chelated by (amino)pyridine ligands: experimental and density functional theory studies. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3407-3416 |
| 4031954 | CIF | C12 H9 Br O3 | P 1 21 1 | 5.304; 6.0907; 16.9947 90; 91.708; 90 | 548.77 | Li, Yanan; Hu, Yanbin; Zhang, Sheng; Sun, Jianan; Li, Lijun; Zha, Zhenggen; Wang, Zhiyong Copper-Catalyzed Enantioselective Hetero-Diels-Alder Reaction of Danishefsky's Diene with Glyoxals. The Journal of organic chemistry, 2016, 81, 2993-2999 |
| 7225154 | CIF | C10 H8 Br0.19 Cl1.81 N2 Zn | P -1 | 7.5668; 8.8117; 9.083 113.005; 94.6504; 95.787 | 549.79 | Nauha, Elisa; Naumov, Panče; Lusi, Matteo Fine-tuning of a thermosalient phase transition by solid solutions CrystEngComm, 2016, 18, 4699 |
| 4348458 | CIF | C18 H12 Pd S12 | P -1 | 6.3883; 7.3796; 12.0993 90.645; 96.41; 103.684 | 550.32 | Ogura, Satomi; Idobata, Yuki; Zhou, Biao; Kobayashi, Akiko; Takagi, Rina; Miyagawa, Kazuya; Kanoda, Kazushi; Kasai, Hidetaka; Nishibori, Eiji; Satoko, Chikatoshi; Delley, Bernard Antiferromagnetic Ordering in the Single-Component Molecular Conductor [Pd(tmdt)2]. Inorganic chemistry, 2016, 55, 7709-7716 |
| 7119358 | CIF | C11 H8 Br2 N O | P -1 | 4.183; 8.769; 15.366 94.1; 95.78; 99.68 | 550.5 | Subhankar; Saha; Gautam; R.; Desiraju Using structural modularity in cocrystals to engineer properties: elasticity Chem.Commun., 2016, 52, 7676 |
| 7118889 | CIF | C5 H6 F4 | P 1 21/c 1 | 10.115; 4.5875; 11.876 90; 90.026; 90 | 551.1 | Fang, Zeguo; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David Polar alicyclic rings: synthesis and structure of all cis-1,2,3,4-tetrafluorocyclopentane. Chemical communications (Cambridge, England), 2016, 52, 5116-5119 |
| 7037083 | CIF | C11 H7 Cl2 N S | P 1 21 1 | 7.4916; 8.4263; 8.7496 90; 93.708; 90 | 551.18 | Peel, Andrew J.; Hedidi, Madani; Bentabed-Ababsa, Ghenia; Roisnel, Thierry; Mongin, Florence; Wheatley, Andrew E. H. Extending motifs in lithiocuprate chemistry: unexpected structural diversity in thiocyanate complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6094-6104 |
| 4513985 | CIF | C16 H24 I2 N8 Ni | P -1 | 8.3462; 8.4556; 8.796 113.763; 101.75; 91.594 | 552.02 | Lu, Zhiyao; Williams, Travis J. Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions ACS Catalysis, 2016, 6, 6670 |
| 7038853 | CIF HKL | Ca6.52 La3.48 O26 P4.52 Si1.48 | P 63/m | 9.53251; 9.53251; 7.02062 90; 90; 120 | 552.49 | Yufei Xia; Jian Chen; Yan-gai Liu; Maxim S. Molokeev; Ming Guan; Zhaohui Huang; Minghao Fang Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca2+xLa8-x(SiO4)6-x(PO4)xO2:Eu2+ Dalton Transactions, 2016, 45, 1007-1015 |
| 4346998 | CIF | C4 H16 Cl3 Cu N2 | P -1 | 7.293; 9.006; 9.685 113.14; 100.38; 100.33 | 552.9 | Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role? Inorganic chemistry, 2016, 55, 3759-3766 |
| 7226632 | CIF | C7 H11 Cd N3 O6 | P -1 | 7.5703; 7.9467; 10.1633 76.859; 81.936; 68.543 | 553.03 | Yang, Jin-Xia; Qin, Ye-Yan; Ye, Run-Ping; Zhang, Xin; Yao, Yuan-Gen Employing mixed-ligand strategy to construct a series of luminescent Cd(ii) compounds with structural diversities CrystEngComm, 2016, 18, 8309 |
| 1555842 | CIF | C11 H20 N2 | P -1 | 6.5009; 8.0222; 11.3792 85.438; 77.389; 72.879 | 553.39 | Andeme Edzang, Judicaelle; Chen, Zhongrui; Audi, Hassib; Canard, Gabriel; Siri, Olivier Transamination at the Crossroad of the One-Pot Synthesis of N-Substituted Quinonediimines and C-Substituted Benzobisimidazoles. Organic letters, 2016, 18, 5340-5343 |
| 4347978 | CIF | C6 H2 B2 Br2 S4 | P 1 21/c 1 | 3.9679; 12.692; 11.008 90; 92.342; 90 | 553.91 | Schlindwein, Simon H.; Bader, Katharina; Sibold, Carlo; Frey, Wolfgang; Neugebauer, Petr; Orlita, Milan; Slageren, Joris van; Gudat, Dietrich New Selective Synthesis of Dithiaboroles as a Viable Pathway to Functionalized Benzenedithiolenes and Their Complexes. Inorganic chemistry, 2016, 55, 6186-6194 |
| 4125055 | CIF | Nd9.553 O25.776 Si6 | P 63/m | 9.5507; 9.5507; 7.0155 90; 90; 120 | 554.191 | An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483 |
| 4125056 | CIF | Nd9.606 O25.924 Si6 | P 63/m | 9.5507; 9.5507; 7.0155 90; 90; 120 | 554.191 | An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483 |
| 4125058 | CIF | Nd9.605 O25.789 Si6 | P 63/m | 9.5507; 9.5507; 7.0155 90; 90; 120 | 554.191 | An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483 |
| 4125059 | CIF | Nd9.58 O25.84 Si6 | P 63/m | 9.5507; 9.5507; 7.0155 90; 90; 120 | 554.191 | An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483 |
| 4125062 | CIF | Nd9.569 O25.905 Si6 | P 63/m | 9.5507; 9.5507; 7.0155 90; 90; 120 | 554.191 | An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483 |
| 1561579 | CIF | C H5 Cl2 N Ni O2 | C 1 2/c 1 | 7.598; 11.336; 6.753 90; 107.68; 90 | 554.2 | Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni) Journal of Solid State Chemistry, 2016, 236, 222-229 |
| 7124691 | CIF | C2 H4 N6 O2 | P 1 21/n 1 | 8.0055; 6.4742; 10.7844 90; 96.224; 90 | 555.65 | He, Chunlin; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. Energetic aminated-azole assemblies from intramolecular and intermolecular N-HO and N-HN hydrogen bonds. Chemical communications (Cambridge, England), 2016, 52, 8123-8126 |
| 4036858 | CIF | C11 H12 Cl N O3 | P -1 | 6.903; 8.862; 9.524 74.756; 84.1; 82.37 | 555.7 | Liu, Gong-Qing; Cui, Bin; Xu, Rong; Li, Yue-Ming Preparation of trans-2-Substituted-4-halopiperidines and cis-2-Substituted-4-halotetrahydropyrans via AlCl3-Catalyzed Prins Reaction. The Journal of organic chemistry, 2016, 81, 5144-5161 |
| 7038099 | CIF | Mo3 Sc2 Si4 | P n m a | 6.5175; 12.6141; 6.7628 90; 90; 90 | 555.99 | Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J. Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3771-3777 |
| 7040324 | CIF | C8 H8 Hg2 O4 S | P 1 21/m 1 | 5.1039; 16.8784; 6.6915 90; 105.28; 90 | 556.07 | Lannes, A.; Manceau, A.; Rovezzi, M.; Glatzel, P.; Joly, Y.; Gautier-Luneau, I Intramolecular Hgπ interactions of d-character with non-bridging atoms in mercury-aryl complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14035-14038 |
| 7225155 | CIF | C10 H8 Br0.62 Cl1.38 N2 Zn | P -1 | 7.6518; 8.8233; 9.1333 113.523; 95.1819; 95.9954 | 556.37 | Nauha, Elisa; Naumov, Panče; Lusi, Matteo Fine-tuning of a thermosalient phase transition by solid solutions CrystEngComm, 2016, 18, 4699 |
| 4125061 | CIF | Al0.5 Nd9.652 O26 Si5.5 | P 63/m | 9.5515; 9.5515; 7.042 90; 90; 120 | 556.378 | An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483 |
| 1555571 | CIF | C24 H35 N O5 | P 1 | 5.9846; 7.913; 12.691 99.814; 95.953; 107.509 | 557 | Nagaraju, Karre; Chegondi, Rambabu; Chandrasekhar, Srivari Expanding Diversity without Protecting Groups: (+)-Sclareolide to Indolosesquiterpene Alkaloid Mycoleptodiscin A and Analogues. Organic letters, 2016, 18, 2684-2687 |
| 2241479 | CIF HKL Paper | Ca2.49 Nd7.51 O25.75 Si6 | P 63/m | 9.5507; 9.5507; 7.0513 90; 90; 120 | 557.02 | Le, Thu Hoai; Brooks, Neil R.; Binnemans, Koen; Blanpain, Bart; Guo, Muxing; Van Meervelt, Luc Crystal structure of apatite type Ca~2.49~Nd~7.51~(SiO~4~)~6~O~1.75~ Acta Crystallographica Section E, 2016, 72, 209-211 |
| 4125060 | CIF | Al Nd9.906 O26 Si5 | P 63/m | 9.553; 9.553; 7.0496 90; 90; 120 | 557.153 | An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483 |
| 2241559 | CIF HKL Paper | C26 H26 N2 S | P 1 | 5.9093; 7.6258; 12.657 87.802; 78.329; 87.427 | 557.76 | Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René Crystal structures of four chiral imine-substituted thiophene derivatives Acta Crystallographica Section E, 2016, 72, 350-354 |
| 1543253 | CIF HKL Paper | C11 H13 N3 O4 | P 1 21 1 | 8.9612; 5.0796; 12.5535 90; 102.438; 90 | 558.02 | Amudha, M.; Kumar, P. Praveen; Chakkaravarthi, G. Benzimidazolium <small>L</small>-aspartate IUCrData, 2016, 1, x160677 |
| 7118747 | CIF | C10 H17 Br O2 | P 1 21 1 | 6.2235; 9.799; 9.2211 90; 97.094; 90 | 558.04 | Verma, Ajay; Jana, Sadhan; Durga Prasad, Ch; Yadav, Abhimanyu; Kumar, Sangit Organoselenium and DMAP co-catalysis: regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes. Chemical communications (Cambridge, England), 2016, 52, 4179-4182 |
| 7055495 | CIF | C4 H8 N16 O2 | P -1 | 7.972; 8.1923; 10.269 90.378; 110.218; 115.52 | 558.28 | Wu, Jin-Ting; Zhang, Jian-Guo; Yin, Xin; Wu, Le Energetic salts based on 3-hydrazino-4-amino-1,2,4-triazole (HATr): synthesis and properties New J. Chem., 2016, 40, 5414 |
| 4125057 | CIF | Al1.5 Nd9.959 O26 Si4.5 | P 63/m | 9.5611; 9.5611; 7.0607 90; 90; 120 | 558.977 | An, Tao; Baikie, Tom; Orera, Alodia; Piltz, Ross O.; Meven, Martin; Slater, Peter R.; Wei, Jun; Sanjuán, María L; White, T. J. Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 2016, 138, 4468-4483 |
| 7155125 | CIF | C15 H8 F N O2 | P -1 | 5.4675; 9.3791; 11.1931 84.624; 79.858; 82.835 | 559.09 | Ali, Wajid; Modi, Anju; Behera, Ahalya; Mohanta, Prakash Ranjan; Patel, Bhisma K. Cs2CO3 as a source of carbonyl and ethereal oxygen in a Cu-catalysed cascade synthesis of benzofuran [3,2-c] quinolin-6[5-H]ones. Organic & biomolecular chemistry, 2016, 14, 5940-5944 |
| 7038100 | CIF | Sc2.07 Si4 W2.93 | P n m a | 6.5357; 12.6408; 6.7743 90; 90; 90 | 559.67 | Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J. Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3771-3777 |
| 7224641 | CIF | C10 H7 F3 N2 O2 | P 1 21 1 | 8.085; 6.71; 10.341 90; 93.418; 90 | 560 | Jakhar, Ajay; Kumari, Prathibha; Nazish, Mohd; Khan, Noor-ul Hasan; Kureshy, Rukhsana Ilyas; Abdi, Sayed H. R.; Eringathodi, Suresh Catalytic asymmetric synthesis of enantioenriched β-nitronitrile bearing a C-CF3 stereogenic center RSC Adv., 2016 |
| 7124919 | CIF | C13 H9 F3 N2 O | P -1 | 5.617; 7.3899; 14.156 75.267; 80.383; 88.88 | 560.1 | Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Lin, Chun-Cheng; Hwu, Jih-Ru; Hwang, Kuo Chu Copper(i)-catalysed oxidative C-N coupling of 2-aminopyridine with terminal alkynes featuring a C[triple bond, length as m-dash]C bond cleavage promoted by visible light. Chemical communications (Cambridge, England), 2016, 52, 11756-11759 |
| 7226292 | CIF | C22 H18 F4 I2 N2 O2 | P -1 | 6.1553; 9.6907; 10.8382 113.014; 96.686; 104.202 | 560.28 | Nemec, Vinko; Cinčić, Dominik Uncommon halogen bond motifs in cocrystals of aromatic amines and 1,4-diiodotetrafluorobenzene CrystEngComm, 2016, 18, 7425 |
| 4347001 | CIF | C1.5 H5 Cl2 Cu O1.5 | C 1 2/m 1 | 17.836; 3.284; 9.593 90; 93.88; 90 | 560.6 | Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role? Inorganic chemistry, 2016, 55, 3759-3766 |
| 7225156 | CIF | C10 H8 Br0.88 Cl1.12 N2 Zn | P -1 | 7.6883; 8.8529; 9.1701 113.7; 95.3265; 95.9991 | 562.12 | Nauha, Elisa; Naumov, Panče; Lusi, Matteo Fine-tuning of a thermosalient phase transition by solid solutions CrystEngComm, 2016, 18, 4699 |
| 8107096 | CIF | C13 H11 F N2 O3 | P -1 | 5.7471; 7.8734; 13.3112 75.546; 78.183; 77.54 | 562.22 | Barakat, Assem; Ghabbour, Hazem A.; Al-Qahtani, Bandar M.; Ali, M.; Mohammed Al-Majid, Abdullah Crystal structure of 5-(3-fluorobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione; C13H11FN2O3 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 1059-1061 |
| 4003328 | CIF | B Cl2 K O3 Zn2 | R 3 2 :H | 4.9624; 4.9624; 26.386 90; 90; 120 | 562.71 | Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials, 2016, 28, 9122 |
| 4348002 | CIF | C13 H14 N2 O2 | P -1 | 7.0394; 7.4097; 11.9281 86.993; 76.794; 68.403 | 562.85 | Dolgopolova, Ekaterina A.; Rice, Allison M.; Smith, Mark D.; Shustova, Natalia B. Photophysics, Dynamics, and Energy Transfer in Rigid Mimics of GFP-based Systems. Inorganic chemistry, 2016, 55, 7257-7264 |
| 7225652 | CIF | C18 H14 Cl4 Cu N4 O10 | P -1 | 8.2635; 8.7473; 9.1791 70.332; 71.57; 67.319 | 563.05 | Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization RSC Adv., 2016 |
| 2107444 | CIF HKL Paper | C24 H34 O2 S2 | P -1 | 5.047; 6.979; 16.333 98.79; 93.52; 95.39 | 564.3 | Ahmed, Maqsood; Nassour, Ayoub; Noureen, Sajida; Lecomte, Claude; Jelsch, Christian Experimental and theoretical charge-density analysis of 1,4-bis(5-hexyl-2-thienyl)butane-1,4-dione: applications of a virtual-atom model Acta Crystallographica Section B, 2016, 72, 75-86 |
| 2020391 | CIF HKL Paper | C11 H15 N O4 | P 1 21 1 | 6.7342; 7.8271; 10.7822 90; 96.442; 90 | 564.73 | Smith, Graham; Lynch, Daniel E. Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues Acta Crystallographica Section C, 2016, 72, 105-111 |
| 7236312 | CIF | C6 H4 N8 O8 | P 1 21/c 1 | 10.523; 5.429; 10.246 90; 105.233; 90 | 564.8 | Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials Journal of Materials Chemistry A, 2016, 4, 7430 |
| 1554021 | CIF | C11 H14 Br N O | P -1 | 7.9102; 8.4568; 9.3598 94.319; 104.239; 109.133 | 564.99 | Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797 |
| 7038852 | CIF HKL | Ca4.47 La5.53 O26 P2.47 Si3.53 | P 63/m | 9.59484; 9.59484; 7.08819 90; 90; 120 | 565.12 | Yufei Xia; Jian Chen; Yan-gai Liu; Maxim S. Molokeev; Ming Guan; Zhaohui Huang; Minghao Fang Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca2+xLa8-x(SiO4)6-x(PO4)xO2:Eu2+ Dalton Transactions, 2016, 45, 1007-1015 |
| 7037854 | CIF | C4 H10 N8 O6 Sr | P -1 | 7.603; 7.714; 11.324 73.482; 86.381; 63.029 | 565.8 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3590-3598 |
| 3500063 | CIF | C6 H13 Mn O8 | P 1 21/m 1 | 7.9489; 6.7664; 10.9689 90; 106.406; 90 | 565.95 | Armel Le Bail Rietveld refinement of the crystal structure of manganese(III) triacetate dihydrate from x-ray powder diffraction data Personal communication to COD, 2016 |
| 2311687 | CIF Paper | C9 H15 N O6 | P 1 21 1 | 5.7793; 7.5974; 12.9136 90; 93.13; 90 | 566.16 | Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 160-163 |
| 7125282 | CIF | C28 H24 O4 | P -1 | 5.6126; 8.3452; 12.339 88.55; 78.74; 87.54 | 566.2 | Zhou, Yuefeng; Ma, Jun; Chen, Kai; Jiang, Huanfeng; Zhu, Shifa Selectivity-switchable oxidation of tetraarylethylenes to fused polycyclic compounds. Chemical communications (Cambridge, England), 2016, 52, 13345-13348 |
| 7225692 | CIF | C20 H28 Cl2 N2 O8 | P -1 | 7.9413; 8.901; 9.0838 71.31; 70.358; 76.061 | 566.42 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
| 1561578 | CIF | C H5 Cl2 Co N O2 | C 1 2/c 1 | 7.7302; 11.269; 6.8439 90; 107.9; 90 | 567.3 | Greenfield, Joshua T.; Ovidiu Garlea, V.; Kamali, Saeed; Chen, Michael; Kovnir, Kirill Synthesis, crystal growth, structural and magnetic characterization of NH4MCl2(HCOO), M=(Fe, Co, Ni) Journal of Solid State Chemistry, 2016, 236, 222-229 |
| 7225494 | CIF | C13 H10 N4 O | P 1 21 1 | 8.7625; 5.8854; 11.0081 90; 91.833; 90 | 567.41 | Safin, Damir A.; Robeyns, Koen; Garcia, Yann 1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties CrystEngComm, 2016, 18, 7284 |
| 1564820 | CIF | C3 H11 K N O9 P3 | P -1 | 6.2553; 8.3041; 11.4036 85.396; 89.884; 73.999 | 567.44 | Somov, N.V.; Chausov, F.F.; Zakirova, R.M. Nitrilotris(methylenephosphonato)potassium K[6-NH(CH2PO3)3H4]: Synthesis, Structure, and the Nature of the KO Chemical Bond Crystallography Reports, 2016, 61, 606-610 |
| 4129861 | CIF | C12 H12 Cl N O3 | P 1 21 1 | 8.7567; 7.246; 9.0118 90; 96.915; 90 | 567.65 | Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones. Journal of the American Chemical Society, 2016, 138, 369-374 |
| 1540717 | CIF | C14 H11 N O3 | P -1 | 6.916; 8.3188; 10.4144 76.992; 76.986; 86.369 | 568.75 | Mallick, Suman; Chandra, Falguni; Koner, Apurba L. A ratiometric fluorescent probe for detection of biogenic primary amines with nanomolar sensitivity. The Analyst, 2016, 141, 827-831 |
| 2241605 | CIF HKL Paper | Fe2.15 Ge0.21 Li0.64 O4 | F d -3 m :2 | 8.2903; 8.2903; 8.2903 90; 90; 90 | 569.78 | Redhammer, Günther J.; Tippelt, Gerold Crystal structure of spinel-type Li~0.64~Fe~2.15~Ge~0.21~O~4~ Acta Crystallographica Section E, 2016, 72, 505-508 |
| 7039847 | CIF | Ba In2 Nd2 S7 | P b a m | 11.5895; 12.3001; 4.0028 90; 90; 90 | 570.61 | Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12329-12337 |
| 1544581 | CIF HKL Paper | C12 H12 N2 O5 | P -1 | 3.7072; 11.4251; 14.3713 70.748; 88.425; 83.284 | 570.68 | Eltayeb, Naser Eltaher Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate IUCrData, 2016, 1, x161741 |
| 7225857 | CIF | C4 H12 N2 O | P 1 21/c 1 | 9.856; 6.681; 9.172 90; 108.778; 90 | 571.8 | Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V. Crystalline products of CO2capture by piperazine aqueous solutions CrystEngComm, 2016, 18, 6282 |
| 7225157 | CIF | C10 H8 Br1.37 Cl0.64 N2 Zn | P -1 | 7.7335; 8.9213; 9.2304 114.064; 95.245; 96.005 | 571.96 | Nauha, Elisa; Naumov, Panče; Lusi, Matteo Fine-tuning of a thermosalient phase transition by solid solutions CrystEngComm, 2016, 18, 4699 |
| 1561556 | CIF | C13 H7 Cd N O5 | P -1 | 7.5226; 8.7212; 9.0959 79.945; 78.462; 82.405 | 572.77 | Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks Journal of Solid State Chemistry, 2016, 237, 313-322 |
| 2311082 | CIF HKL | C6 H5 N O2 | P 1 21/c 1 | 7.303; 11.693; 7.33 90; 113.68; 90 | 573 | van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. <i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A, 2016, 72, 236-242 |
| 4003280 | CIF | C14 H12 S2 | P 1 21/c 1 | 10.5548; 8.0291; 6.8298 90; 98.038; 90 | 573.11 | Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport Chemistry of Materials, 2016, 28, 5772 |
| 2020324 | CIF HKL Paper | C26 H20 Cl2 N4 | P -1 | 6.1037; 9.3345; 10.4146 83.039; 77.139; 85.055 | 573.15 | Mohamed, Shaaban K.; Younes, Sabry H. H.; Abdel-Raheem, Eman M. M.; Horton, Peter N.; Akkurt, Mehmet; Glidewell, Christopher Triclinic and monoclinic polymorphs of <i>meso</i>-(<i>E</i>,<i>E</i>)-1,1'-[1,2-bis(4-chlorophenyl)ethane-1,2-diyl]bis(phenyldiazene): the high-yield synthesis of an unexpected product, concomitant polymorphism and configurational disorder Acta Crystallographica Section C, 2016, 72, 57-62 |
| 7226798 | CIF | Ge4 Na9 S12 Sb | C 1 2/m 1 | 7.5857; 11.5743; 6.8175 90; 106.587; 90 | 573.66 | Wu, Xiaowen; Hu, Yi; Pan, Hui; Su, Zhi Na9Sb(Ge2Q6)2 (Q = S, Se): two new antimony (III) quaternary chalcogenides with ethane-like [Ge2Q6]6− ligands RSC Adv., 2016 |
| 1543361 | CIF | C13 H16 O3 | P 1 21 1 | 8.246; 6.3133; 11.1291 90; 97.945; 90 | 573.81 | Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J. Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A. Organic letters, 2016, 18, 2902-2905 |
| 7039851 | CIF | Ba In2 Pr2 S7 | P b a m | 11.592; 12.3232; 4.021 90; 90; 90 | 574.4 | Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12329-12337 |
| 4003327 | CIF | B Cl2 H4 N O3 Zn2 | R 3 2 :H | 4.952; 4.952; 27.05 90; 90; 120 | 574.5 | Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials, 2016, 28, 9122 |
| 1551604 | CIF | C26 H34 N2 O4 | P -1 | 6.8192; 9.204; 10.178 108.65; 106.23; 92.71 | 574.6 | KUBO, Kanji; YAMAMOTO, Emi; MATSUMOTO, Taisuke; MORI, Akira Crystal Structure of <i>N,N</i>′-Bis(5-butoxytropon-2-yl)piperazine X-ray Structure Analysis Online, 2016, 32, 37 |
| 7040758 | CIF | C4 H4 Cu2 N16 O2 | C 1 2/c 1 | 11.32; 7.635; 8.702 90; 129.88; 90 | 577.2 | Chen, Sitong; Zhang, Bo; Yang, Li; Wang, Lin; Zhang, Tonglai Synthesis, structure and characterization of neutral coordination polymers of 5,5'-bistetrazole with copper(ii), zinc(ii) and cadmium(ii): a new route to reconcile oxygen balance and nitrogen content of high-energy MOFs. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16779-16783 |
| 7222918 | CIF | C8 H15 Cl F N O4 | P -1 | 5.821; 6.4875; 15.7485 100.738; 96.625; 94.612 | 577.23 | Willis, Nicky J.; Fisher, Craig A.; Alder, Catherine M.; Harsanyi, Antal; Shukla, Lena; Adams, Joseph P.; Sandford, Graham Sustainable synthesis of enantiopure fluorolactam derivatives by a selective direct fluorination – amidase strategy Green Chem., 2016, 18, 1313 |
| 7038851 | CIF HKL | Ca2.87 La7.13 O26 Si6 | P 63/m | 9.65586; 9.65586; 7.15289 90; 90; 120 | 577.556 | Yufei Xia; Jian Chen; Yan-gai Liu; Maxim S. Molokeev; Ming Guan; Zhaohui Huang; Minghao Fang Crystal structure evolution and luminescence properties of color tunable solid solution phosphors Ca2+xLa8-x(SiO4)6-x(PO4)xO2:Eu2+ Dalton Transactions, 2016, 45, 1007-1015 |
| 1543900 | CIF | Cr2 Mg O4 | F d -3 m :2 | 8.3288; 8.3288; 8.3288 90; 90; 90 | 577.76 | Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ IUCrJ, 2016, 3 |
| 7223943 | CIF | C10 H11 N5 O5 | P 1 21 1 | 6.5121; 6.8206; 13.045 90; 93.72; 90 | 578.2 | Kumar, Manish; Kumar, Rajesh; rana, neha; Prasad, Ashok K. Synthesis of 3′-azido/-amino-xylobicyclonucleosides RSC Adv., 2016 |
| 7040952 | CIF | Cl Fe H O4 Sb2 | P 1 21/c 1 | 6.901; 8.158; 10.32 90; 95.516; 90 | 578.3 | Geng, Lei; Li, Qiang; Lu, Hongyan; Dai, Kai; Halasyamani, P. Shiv Sb-Based antiferromagnetic oxychlorides: MSb2O3(OH)Cl (M = Mn, Fe, Co) with 2D spin-dimer structures. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18183-18189 |
| 7039850 | CIF | Ba Ce2 In2 S7 | P b a m | 11.5947; 12.3439; 4.0413 90; 90; 90 | 578.41 | Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12329-12337 |
| 7702079 | CIF | Br4 Nb | I 1 2/m 1 | 8.6119; 7.1821; 9.3626 90; 92.212; 90 | 578.66 | Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin Niobium tetrahalide complexes with neutral diphosphine ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8192-8200 |
| 7225158 | CIF | C10 H8 Br1.71 Cl0.29 N2 Zn | P -1 | 7.785; 8.976; 9.255 114.285; 95.568; 95.95 | 579.3 | Nauha, Elisa; Naumov, Panče; Lusi, Matteo Fine-tuning of a thermosalient phase transition by solid solutions CrystEngComm, 2016, 18, 4699 |
| 7055600 | CIF | C13 H5 F5 O2 | P 1 21 1 | 6.634; 4.733; 18.468 90; 92.01; 90 | 579.5 | Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives New J. Chem., 2016, 40, 6728 |
| 2241596 | CIF HKL Paper | C22 H30 N4 O6 | P -1 | 6.1616; 7.3109; 13.4537 96.771; 103.049; 96.607 | 579.96 | Li, Wen-Juan; Han, Hong-Fei Crystal structure of (<i>E</i>,<i>E</i>)-2',4'-dihydroxyacetophenone azine dimethylformamide disolvate Acta Crystallographica Section E, 2016, 72, 467-469 |
| 4003329 | CIF | B Cl2 O3 Rb Zn2 | R 3 2 :H | 4.9611; 4.9611; 27.221 90; 90; 120 | 580.22 | Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials, 2016, 28, 9122 |
| 4036605 | CIF | C27 H20 Br2 O3 | P 1 | 8.1158; 8.6369; 9.1898 95.53; 104.286; 108.675 | 580.48 | Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones. The Journal of organic chemistry, 2016, 81, 2420-2431 |
| 4349177 | CIF | B Cl2 O3 Rb Zn2 | R 3 2 :H | 4.9645; 4.9645; 27.207 90; 90; 120 | 580.7 | Huang, Qian; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian Beryllium-Free KBBF Family of Nonlinear-Optical Crystals: AZn<sub>2</sub>BO<sub>3</sub>X<sub>2</sub> (A = Na, K, Rb; X = Cl, Br). Inorganic chemistry, 2016, 55, 12496-12499 |
| 7226743 | CIF | C14 H22 Cu3 O16 S2 | P -1 | 5.6096; 8.9824; 12.1172 86.288; 77.183; 77.676 | 581.53 | Fujita, Wataru; Tokumitu, Akio; Fujii, Yutaka; Kikuchi, Hikomitsu Crystal growth, structures and magnetic properties of copper hydroxide compounds with distorted diamond chain magnetic networks CrystEngComm, 2016, 18, 8614 |
| 1555689 | CIF | C13 H19 N O2 | P 1 21 1 | 7.6484; 7.0465; 10.9071 90; 98.254; 90 | 581.74 | Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization. Organic letters, 2016, 18, 4328-4331 |
| 2311084 | CIF HKL | C6 H5 N O2 | P 1 21/c 1 | 7.41; 11.692; 7.377 90; 114.45; 90 | 582 | van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P. <i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector Acta Crystallographica Section A, 2016, 72, 236-242 |
| 7055429 | CIF | C14 H9 F4 N O | P -1 | 5.353; 6.963; 16.666 80.519; 88.584; 71.932 | 582.3 | Panini, Piyush; Gonnade, Rajesh G.; Chopra, Deepak Experimental and computational analysis of supramolecular motifs involving Csp2(aromatic)‒F and CF3groups in organic solids New J. Chem., 2016, 40, 4981 |
| 7225885 | CIF | C4 H5 Cl O4 | P 21 21 21 | 7.5593; 8.502; 9.0604 90; 90; 90 | 582.3 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 1540519 | CIF | C28 H36 S2 | P -1 | 6.7057; 9.395; 10.2135 75.517; 77.083; 71.249 | 582.7 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1542728 | CIF HKL Paper | C13 H19 N O3 | P -1 | 5.2542; 10.374; 11.341 94.937; 102.429; 102.811 | 582.8 | Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko <i>N</i>-Hexyl-3,4-dihydroxybenzamide IUCrData, 2016, 1, x160346 |
| 7702103 | CIF | C4 H10 Cl4 Nb S2 | P 1 21 1 | 7.2443; 11.2723; 7.9616 90; 116.177; 90 | 583.46 | Chang, Yao-Pang; Levason, William; Light, Mark E.; Reid, Gillian Niobium tetrachloride complexes with thio-, seleno- and telluro-ether coordination - synthesis and structures. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16262-16274 |
| 7038101 | CIF | Lu2 Mo3 Si4 | P n m a | 6.6451; 12.7818; 6.8725 90; 90; 90 | 583.72 | Nielsen, Morten B.; Xie, Weiwei; Cava, Robert J. Ternary rare earth silicides RE2M3Si4 (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3771-3777 |
| 4513810 | CIF | C12 H13 N O3 S | P -1 | 7.4674; 8.2917; 10.159 84.506; 89.933; 69.136 | 584.71 | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams ACS Catalysis, 2016, 6, 1565 |
| 4037466 | CIF | C14 H6 N O4 | P 1 21/m 1 | 8.4519; 6.8822; 10.8607 90; 112.056; 90 | 585.51 | Han, Sang Hoon; Kim, Saegun; De, Umasankar; Mishra, Neeraj Kumar; Park, Jihye; Sharma, Satyasheel; Kwak, Jong Hwan; Han, Sangil; Kim, Hyung Sik; Kim, In Su Synthesis of Succinimide-Containing Chromones, Naphthoquinones, and Xanthones under Rh(III) Catalysis: Evaluation of Anticancer Activity. The Journal of organic chemistry, 2016, 81, 12416-12425 |
| 1540520 | CIF | C28 H36 S2 | P -1 | 6.1837; 9.106; 11.6714 67.24; 76.721; 79.135 | 586.18 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 4347294 | CIF | C8 H14 Cl N4 Pt | P 21 21 2 | 5.4246; 10.0714; 10.7447 90; 90; 90 | 587.02 | Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps. Inorganic chemistry, 2016, 55, 2620-2626 |
| 7225955 | CIF | C14 H7 N3 O2 S | P -1 | 7.5691; 8.3593; 10.1479 83.336; 88.008; 67.085 | 587.38 | Maji, Rajkishor; Mahapatra, Ajit Kumar; Maiti, Kalipada; Mondal, Sanchita; Ali, Syed Samim; Sahoo, Prithidipa; Mandal, Sukhendu; Uddin, Md. Raihan; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong- Kun A highly sensitive fluorescent probe for detection of hydrazine in gas and solution phase based on the Gabriel mechanism and its bioimaging RSC Adv., 2016 |
| 7235036 | CIF | Ca O12 P2 Si Sr4 | P 63/m | 9.67202; 9.67202; 7.25393 90; 90; 120 | 587.677 | Manli Zhang; Zhiguo Xia; Maxim S. Molokeev; Lin Shi; Quanlin Liu New insight into the crystal structure of Sr4Ca(PO4)2SiO4 and the photoluminescence tuning of Sr4Ca(PO4)2SiO4:Ce3+,Na+,Eu2+ phosphors Journal of Materials Chemistry C, 2016, 4, 9078-9084 |
| 7039853 | CIF | Ba In2 La2 S7 | P b a m | 11.63; 12.4202; 4.0689 90; 90; 90 | 587.74 | Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12329-12337 |
| 7223860 | CIF | C6 H6 F4 N4 O8 | P 1 21/n 1 | 11.4164; 13.6481; 4.9679 90; 130.54; 90 | 588.2 | Dharavath, Srinivas; Ghule, Vikas Synthesis of Nitrate Ester and Nitramine Derivatives of Polyfluoro Alkyl Compounds for High Energy Materials RSC Adv., 2016 |
| 7234867 | CIF | C28 H16 N4 O2 S2 | P -1 | 8.693; 9.371; 7.302 93.55; 97.81; 89.44 | 588.2 | Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives Journal of Materials Chemistry C, 2016, 4, 5981-5987 |
| 2020662 | CIF | H0 K1.5 Mg2 O7 Si2 | C m c m | 8.7623; 5.0703; 13.2505 90; 90; 90 | 588.69 | Welch, M. D.; Bindi, L.; Petříček, V.; Plášil, J. Vacancy pairing and superstructure in the high-pressure silicate K~1.5~Mg~2~Si~2~O~7~H~0.5~: a new potential host for potassium in the deep Earth Acta Crystallographica Section B, 2016, 72, 822-827 |
| 7223928 | CIF | C4 H18 N2 O8 P2 | P -1 | 5.7389; 9.985; 11.457 115.505; 94.461; 92.251 | 588.8 | Yuan, Liangjie; Tian, Di; Chen, Shuo-ping; Li, Lang Hydrous salts of 1-aminoethylidenediphosphonic acid and piperazidine: temperature induced reversible structural transformation in humid environment RSC Adv., 2016 |
| 1543260 | CIF | C12 H11 N O2 S2 | P -1 | 6.6545; 7.7124; 12.1476 87.201; 88.293; 71.09 | 589.03 | Shukla, Gaurav; Srivastava, Abhijeet; Singh, Maya Shankar Metal- and Catalyst-Free, Formal [4 + 1] Annulation via Tandem C═O/C═S Functionalization: One-Pot Access to 3,5-Disubstituted/Annulated Isothiazoles. Organic letters, 2016, 18, 2451-2454 |
| 1561591 | CIF | La9.48 O26 Si5.89 | P 63/m | 9.7205; 9.7205; 7.1987 90; 90; 120 | 589.06 | Fukuda, Koichiro; Hasegawa, Ryo; Kitagawa, Takuya; Nakamori, Hiroshi; Asaka, Toru; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Jouin, Jenny; Thomas, Philippe Well-aligned polycrystalline lanthanum silicate oxyapatite grown by reactive diffusion between solid La2SiO5 and gases [SiO+1/2O2] Journal of Solid State Chemistry, 2016, 235, 1-6 |
| 1543803 | CIF | C14 H12 O6 | P -1 | 7.9639; 8.2187; 9.601 92.174; 109.731; 92.209 | 590.21 | Alamillo-Ferrer, Carla; Karabourniotis-Sotti, Marianna; Kennedy, Alan R.; Campbell, Matthew; Tomkinson, Nicholas C. O. Alkene Dioxygenation with Malonoyl Peroxides: Synthesis of γ-Lactones, Isobenzofuranones, and Tetrahydrofurans. Organic letters, 2016, 18, 3102-3105 |
| 2241567 | CIF HKL Paper | C16 H13 N O | P -1 | 7.4136; 7.507; 10.9519 101.274; 92.218; 97.893 | 590.74 | Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A. Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the <i>C</i>(6) N—H···O chain remains the same, but the weak reinforcing interactions are different Acta Crystallographica Section E, 2016, 72, 363-369 |
| 4130247 | CIF | C14 H11 N O4 | P 1 21 1 | 5.7277; 6.9124; 15.0468 90; 97.42; 90 | 590.75 | Kawamata, Yu; Hashimoto, Takuya; Maruoka, Keiji A Chiral Electrophilic Selenium Catalyst for Highly Enantioselective Oxidative Cyclization. Journal of the American Chemical Society, 2016, 138, 5206-5209 |
| 1542922 | CIF HKL | Al24 Eu0.16 O38 Sr1.84 | P 63/m m c | 5.568011; 5.568011; 22.00807 90; 90; 120 | 590.898 | Bin Ma; Qingfeng Guo; Maxim S. Molokeev; Zhenfei Lv; Jun Yao; Lefu Mei; Zhaohui Huang Crystal structure and luminescence properties of green-emitting Sr1-xAl12O19:xEu2+ phosphors Ceramics International, 2016, 42, 5995-5999 |
| 4130285 | CIF | C29 H18 Cl2 O4 | P -1 | 7.127; 7.465; 11.374 96.247; 90.085; 100.706 | 590.9 | Suzuki, Mitsuharu; Kotyk, Juliet F Khosrowabadi; Khan, Saeed I.; Rubin, Yves Directing the Crystallization of Dehydro[24]annulenes into Supramolecular Nanotubular Scaffolds. Journal of the American Chemical Society, 2016, 138, 5939-5956 |
| 1542921 | CIF HKL | Al24 Eu0.12 O38 Sr1.88 | P 63/m m c | 5.568411; 5.568411; 22.00704 90; 90; 120 | 590.956 | Bin Ma; Qingfeng Guo; Maxim S. Molokeev; Zhenfei Lv; Jun Yao; Lefu Mei; Zhaohui Huang Crystal structure and luminescence properties of green-emitting Sr1-xAl12O19:xEu2+ phosphors Ceramics International, 2016, 42, 5995-5999 |
| 7226155 | CIF | C4 H8 Cu K2 O12 | P 1 21/n 1 | 3.7345; 14.764; 10.742 90; 93.23; 90 | 591.3 | Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D. Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration CrystEngComm, 2016, 18, 5062 |
| 7118164 | CIF | C12 H16 N2 O4 | P -1 | 4.529; 9.009; 15.234 101.869; 93.598; 101.742 | 592 | Abigail E. Hooper; Stuart R. Kennedy; Christopher D. Jones; Jonathan W. Steed Gelation by supramolecular dimerization of mono(urea)s Chem.Commun., 2016, 52, 198 |
| 7224647 | CIF | H8 Mo4 N2 O13 | P -1 | 8.2674; 8.3564; 10.2593 104.702; 106.043; 109.624 | 592.71 | Najafi, Mahnaz; Abbasi, Alireza; Masteri-Farahani, Majid; Shahbaazi, Hamidreza; Ahmadniai Motlagh, Mahmood; Janczak, Jan A one-dimensional polyoxomolybdate polymer as catalyst for the epoxidation of olefins RSC Adv., 2016 |
| 7037849 | CIF | C8 H20 Ba2 N16 O12 | P -1 | 7.6249; 7.846; 11.723 70.52; 85.079; 64.007 | 592.8 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Zhang, Chunyuan; Li, Lijie; Chen, Shusen; Shu, Qinghai Nitrogen-rich 4,4'-azo bis(1,2,4-triazolone) salts-the synthesis and promising properties of a new family of high-density insensitive materials. Dalton transactions (Cambridge, England : 2003), 2016, 45, 3590-3598 |
| 8106922 | CIF | C4 H10 Ba N8 O6 | P -1 | 7.6249; 7.846; 11.723 70.52; 85.079; 64.007 | 592.8 | Zhu, Jiaping; Jin, Shaohua; Wan, Li; Li, Lijie; Chen, Shusen; Shu, Qinghai Crystal structure of tetraqua((E)-4,4′-(diazene-1,2-diyl)bis(5-oxo-4,5-dihydro-1,2,4-triazol-1-ide)-κ2 N:O)barium(II), C4H10N8O6Ba Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 503-504 |
| 7040553 | CIF | C12 H9 Fe N O2 S | P -1 | 7.3073; 7.4344; 11.3494 96.919; 98.64; 100.293 | 592.84 | Ramalakshmi, Rongala; Maheswari, K.; Sharmila, Dudekula; Paul, Anamika; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal Reactivity of cyclopentadienyl transition metal(ii) complexes with borate ligands: structural characterization of the toluene-activated molybdenum complex [Cp*Mo(CO)2(η(3)-CH2C6H5)]. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16317-16324 |
| 4037328 | CIF | C14 H14 B N O2 | P -1 | 7.4434; 8.143; 10.3466 73.153; 83.813; 82.018 | 592.88 | Saint-Louis, Carl Jacky; Magill, Lacey L.; Wilson, Julie A.; Schroeder, Andrew R.; Harrell, Sarah E.; Jackson, Nicolle S.; Trindell, Jamie A.; Kim, Saraphina; Fisch, Alexander R.; Munro, Lyndsay; Catalano, Vincent J.; Webster, Charles Edwin; Vaughan, Pamela P.; Molek, Karen S.; Schrock, Alan K.; Huggins, Michael T. The Synthesis and Characterization of Highly Fluorescent Polycyclic Azaborine Chromophores. The Journal of organic chemistry, 2016, 81, 10955-10963 |
| 2241723 | CIF HKL Paper | C11 H9 Cl I N O2 | P -1 | 7.7733; 7.824; 10.4594 86.085; 80.575; 71.308 | 594.35 | Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A. Weak interactions in the crystal structures of two indole derivatives Acta Crystallographica Section E, 2016, 72, 964-968 |
| 1544627 | CIF HKL | C3 Cl2 O S2 | P 1 21/n 1 | 8.678; 7.9332; 8.734 90; 98.62; 90 | 594.5 | Boukebbous, Khaled; Laifa, El Adoui; De Mallmann, Aimery; Taoufik, Mostafa 4,5-Dichloro-3<i>H</i>-1,2-dithiol-3-one IUCrData, 2016, 1, x161820 |
| 1556808 | CIF | C12 H14 Cl2 N2 | P -1 | 6.5705; 7.6756; 12.6098 85.165; 76.785; 73.868 | 594.58 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556809 | CIF | C12 H14 Cl2 N2 | P -1 | 6.5705; 7.6756; 12.6098 85.165; 76.785; 73.868 | 594.58 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556811 | CIF | C12 H14 Cl2 N2 | P -1 | 6.57; 7.676; 12.61 85.17; 76.79; 73.87 | 594.593 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556812 | CIF | C12 H14 Cl2 N2 | P -1 | 6.57; 7.676; 12.61 85.17; 76.79; 73.87 | 594.593 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 7225159 | CIF | C10 H8 Br2 N2 Zn | P -1 | 7.882; 9.046; 9.355 114.689; 95.786; 95.861 | 595.2 | Nauha, Elisa; Naumov, Panče; Lusi, Matteo Fine-tuning of a thermosalient phase transition by solid solutions CrystEngComm, 2016, 18, 4699 |
| 1556810 | CIF | C6 H7 Cl N | P -1 | 6.5742; 7.6702; 12.636 85.26; 76.735; 73.823 | 595.5 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 4130943 | CIF | C10 H7 F4 I O4 | P -1 | 4.1971; 10.0492; 14.9871 108.6; 93.4806; 93.8251 | 595.52 | Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications. Journal of the American Chemical Society, 2016, 138, 12747-12750 |
| 7040951 | CIF | Cl H Mn O4 Sb2 | P 1 21/c 1 | 6.943; 8.209; 10.524 90; 96.542; 90 | 595.9 | Geng, Lei; Li, Qiang; Lu, Hongyan; Dai, Kai; Halasyamani, P. Shiv Sb-Based antiferromagnetic oxychlorides: MSb2O3(OH)Cl (M = Mn, Fe, Co) with 2D spin-dimer structures. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18183-18189 |
| 7234868 | CIF | C28 H14 F2 N4 O2 S2 | P -1 | 7.777; 11.695; 7.117 94.34; 105.31; 72.63 | 595.9 | Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives Journal of Materials Chemistry C, 2016, 4, 5981-5987 |
| 7125202 | CIF | C12 H11 N3 O3 S | P -1 | 5.8245; 7.5038; 13.8162 94.785; 94.97; 95.755 | 595.96 | Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu Hierarchical construction of SHG-active polar crystals by using multi-component crystals. Chemical communications (Cambridge, England), 2016, 52, 13710-13713 |
| 4347299 | CIF | C8 H14 Br N4 Pt | P 21 21 2 | 5.5648; 9.958; 10.755 90; 90; 90 | 596 | Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps. Inorganic chemistry, 2016, 55, 2620-2626 |
| 7118905 | CIF | C6 H12 Br2 N4 Pt | P 1 21/c 1 | 5.7573; 11.8165; 9.2197 90; 108.047; 90 | 596.37 | Ivanov, Daniil M.; Novikov, Alexander S.; Ananyev, Ivan V.; Kirina, Yulia V.; Kukushkin, Vadim Yu Halogen bonding between metal centers and halocarbons. Chemical communications (Cambridge, England), 2016, 52, 5565-5568 |
| 7224577 | CIF | C6 H14 N8 Ni O2 | P 1 21/c 1 | 7.853; 8.1074; 9.729 90; 105.589; 90 | 596.63 | Ribeiro, Ana; Karabach, Yauhen Yu.; Martins, Luísa Margarida; Mahmoud, Abdallah G.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. Nickel(II)-2-amino-4-alkoxy-1,3,5-triazapentadienate complexes as catalysts for Heck and Henry reactions RSC Adv., 2016 |
| 4347133 | CIF | C10 H7 Cu N7 O | P -1 | 7.3941; 7.5001; 11.5087 78.637; 89.655; 72.761 | 596.68 | Zhang, Xiaoying; Li, Bo; Zhang, Jingping An Efficient Strategy for Self-Assembly of DNA-Mimic Homochiral 1D Helical Cu(II) Chain from Achiral Flexible Ligand by Spontaneous Resolution. Inorganic chemistry, 2016, 55, 3378-3383 |
| 7055226 | CIF | B5 Ca3 Nd3 O15 | P 63 m c | 10.4864; 10.4864; 6.2665 90; 90; 120 | 596.772 | Wang, Xing; Xia, Mingjun; Li, R. K. Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties New J. Chem., 2016, 40, 2057 |
| 7223749 | CIF | Al7 Cu2 Fe | P 4/m n c | 6.336; 6.336; 14.87 90; 90; 90 | 596.95 | Pillaca Quispe, Mirtha; Landauro Sáenz, Carlos V.; Pinto Vergara, Milida Z.; Quispe Marcatoma, Justiniano; Rojas Ayala, Chachi; Peña Rodríguez, Victor A.; Saitovitch, Elisa B. Influence of high energy milling on the microstructure and magnetic properties of the Al-Cu-Fe phases: the case of the i-Al64Cu23Fe13quasicrystalline and the ω-Al70Cu20Fe10crystalline phases RSC Adv., 2016 |
| 1555560 | CIF | C14 H8 F2 N2 O S | P -1 | 5.737; 7.6865; 13.5874 88.575; 86.523; 88.004 | 597.55 | Castanheiro, Thomas; Suffert, Jean; Gulea, Mihaela; Donnard, Morgan Aerobic Copper-Mediated Domino Three-Component Approach to 2-Aminobenzothiazole Derivatives. Organic letters, 2016, 18, 2588-2591 |
| 7038905 | CIF | B4 Na3 O12 Y3 | P 63 m c | 10.1136; 10.1136; 6.7485 90; 90; 120 | 597.79 | Shan, Faxian; Kang, Lei; Zhang, Guochun; Yao, Jiyong; Lin, Zheshuai; Xia, Mingjun; Zhang, Xinyuan; Fu, Ying; Wu, Yicheng Na3Y3(BO3)4: a new noncentrosymmetric borate with an open-framework structure. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7205-7208 |
| 1561593 | CIF | Ca0.66 Mn0.33 O8 P2 Zr | P n m a | 6.235; 6.6281; 14.4731 90; 90; 90 | 598.12 | Orlova, Maria; Perfler, Lukas; Tribus, Martina; Salnikov, Petr; Glorieux, Benoit; Orlova, Albina Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate Journal of Solid State Chemistry, 2016, 235, 36-42 |
| 1544311 | CIF Paper | C14 H14 O3 | P -1 | 6.0504; 10.2188; 10.8744 106.062; 102.923; 103.358 | 598.14 | Madan Kumar, S.; Manju, N.; Kalluraya, Balakrishna; Byrappa, K.; Abdoh, M. M. M. Ethyl (naphthalen-2-yloxy)acetate IUCrData, 2016, 1, x161594 |
| 3500058 | CIF | Cr F13 Pb5 | P 1 21/m 1 | 8.2137; 6.0253; 12.282 90; 100.1; 90 | 598.42 | Armel Le Bail Approaching the crystal structure of Pb5CrF13 (a big mess indeed : systematic twinning) Personal communication to COD, 2016 |
| 7118643 | CIF | C6 F5 N | C 1 2 1 | 13.77; 5.569; 9.822 90; 127.333; 90 | 598.9 | Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals Chemical Communications (Cambridge, United Kingdom), 2016, 52, 2103-2106 |
| 7224595 | CIF | C20 H22 Cl2 N2 O6 Pd S2 | P -1 | 7.1934; 7.5432; 11.4096 94.723; 103.384; 91.985 | 599.32 | Sabounchei, S. J.; Ahmadianpoor, Mahmood; Yousefi, Abed; Hashemi, Ali; Bayat, Mehdi; Sedghi, Asieh; Akhlaghi Bagherjeri, Fateme; W. Gable, Robert New Pd(II) Complexes of Sulfur Ylide; Synthesis, X-ray Characterization, Theoretical Study and Catalytic Activity toward Mizoroki-Heck Reaction RSC Adv., 2016 |
| 7225753 | CIF | C5 H6 N4 O | P 1 21 1 | 3.7805; 10.5723; 15.0385 90; 94.249; 90 | 599.42 | Chylewska, Agnieszka; Ogryzek, Malgorzata; Głębocka, Angelika; Sikorski, Artur; Turecka, Katarzyna; Raczynska, Ewa; Makowski, Mariusz Crystalline pyrazine-2-amidoxime isolated by diffusion method and its structural and behavioral analysis in the context of crystal engineering and microbiological activity RSC Adv., 2016 |
| 7225873 | CIF | C5 H9 Cl4 Fe N2 | P 1 21 1 | 6.5434; 14.0286; 6.5314 90; 89.921; 90 | 599.55 | de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid Phys. Chem. Chem. Phys., 2016 |
| 8106946 | CIF | C11 H15 N3 O S | P -1 | 4.6579; 9.6316; 13.6654 87.982; 87.33; 78.403 | 599.69 | Al-Tamimi, Abdul-Malek S.; Ghabbour, Hazem A.; El-Emam, Ali A. Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 583-585 |
| 8106941 | CIF | C16 H11 N O2 | P -1 | 7.3496; 9.3709; 9.4112 104.712; 96.261; 103.4 | 600.1 | Shi, Da-Bin; Meng, Chao; Chen, Yong-Zheng Crystal structure of 4-(4-pyridinyl)-1-naphthoic acid, C16H11NO2 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 565-567 |
| 4129745 | CIF | C16 H16 O | P 1 21 1 | 7.6454; 5.5106; 14.2743 90; 91.93; 90 | 601.05 | Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J. Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences. Journal of the American Chemical Society, 2016, 138, 3314-3324 |
| 4003326 | CIF | B Br2 K O3 Zn2 | R 3 2 :H | 4.9618; 4.9618; 28.199 90; 90; 120 | 601.23 | Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials, 2016, 28, 9122 |
| 2020557 | CIF HKL | C9 H15 N3 O3 S | P -1 | 7.2516; 8.9841; 10.736 109.275; 109.132; 97.283 | 601.7 | Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C, 2016, 72 |
| 7234869 | CIF | C28 H12 F4 N4 O2 S2 | P -1 | 7.971; 11.72; 7.066 94.55; 105.54; 71.28 | 602.3 | Toshiki Higashino; Masaki Dogishi; Tomofumi Kadoya; Ryonosuke Sato; Tadashi Kawamoto; Takehiko Mori Air-stable n-channel organic field-effect transistors based on charge-transfer complexes including dimethoxybenzothienobenzothiophene and tetracyanoquinodimethane derivatives Journal of Materials Chemistry C, 2016, 4, 5981-5987 |
| 7224722 | CIF | C12 H13 F O4 | P 1 21 1 | 5.059; 10.704; 11.363 90; 101.62; 90 | 602.7 | Mo, Yuanzhao; Nie, HuiFang; Lei, Yang; Zhang, Dongxu; Li, XiaoYe; Wang, QiaoFeng; zhang, shengyong Asymmetric Transfer Hydrogenation of γ-aryl α, γ-dioxo-butyric acid esters RSC Adv., 2016 |
| 7236144 | CIF | C3 H7 N5 O3 | P 1 21/n 1 | 9.4591; 6.7214; 9.6711 90; 101.349; 90 | 602.85 | Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials Journal of Materials Chemistry A, 2016, 4, 4971 |
| 4031935 | CIF | C14 H15 F O3 | P 1 21 1 | 7.083; 7.1796; 11.8698 90; 92.156; 90 | 603.19 | Li, Yuanzhen; Yang, Shuang; Wen, Genfa; Lin, Qiqiao; Zhang, Guoxiang; Qiu, Lin; Zhang, Xiaoyan; Du, Guangfen; Fang, Xinqiang Asymmetric Desymmetrization of 1,3-Diketones via Intramolecular Benzoin Reaction. The Journal of organic chemistry, 2016, 81, 2763-2769 |
| 7225886 | CIF | C4 H5 Br O4 | P 21 21 21 | 7.5647; 8.6337; 9.238 90; 90; 90 | 603.35 | Spaniol, Jacqueline M.; Wheeler, Kraig A. Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition RSC Adv., 2016, 6, 64921 |
| 4088284 | CIF | C15 H12 N2 O2 | P 1 21 1 | 3.8617; 14.2043; 11.0554 90; 95.734; 90 | 603.38 | Wu, Hung-Chou; Chu, Jean-Ho; Li, Chin-Wei; Hwang, Long-Chih; Wu, Ming-Jung Palladium-Catalyzed Regioselective Arylation of Pyrazolo[1,5-a]pyridines via C‒H Activation and Synthetic Applications on P38 Kinase Inhibitors Organometallics, 2016, 35, 288 |
| 7224573 | CIF | C6 H34 Cu N4 O20 S4 | P -1 | 8.044; 9.357; 9.822 111.23; 107.301; 104.268 | 603.6 | Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2 CrystEngComm, 2016, 18, 2719 |
| 7224646 | CIF | C14 H12 N2 O2 | P 1 21/n 1 | 8.5168; 6.307; 11.8129 90; 107.892; 90 | 603.85 | Yang, Jinlai; Rui, Jian; Xu, Xu; Yang, Yiqin; Su, Jun; Xu, Haijun; Wang, Yunyun; Sun, Nan; Wang, Shifa Fluorescence staining of salicylaldehyde azine and applications in the determination of potassium tert-butoxide RSC Adv., 2016 |
| 7223922 | CIF | C16 H28 N10 Ni O10 | P -1 | 7.7318; 8.9961; 9.1815 94.4; 107.22; 95.01 | 604.1 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7234771 | CIF | C12 H6 N4 O2 S2 | P 1 21/c 1 | 3.8535; 15.665; 10.114 90; 97.98; 90 | 604.6 | Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives Journal of Materials Chemistry C, 2016, 4, 4451-4458 |
| 1544769 | CIF HKL Paper | C12 H14 N2 O4 | P -1 | 7.467; 8.8307; 10.5426 106.833; 108.557; 99.42 | 605.2 | Novina, J. J.; Vasuki, G.; Suresh, M.; Viswanathan, Vijayan; Velmurugan, Devadasan Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate: a triclinic polymorph IUCrData, 2016, 1, x161937 |
| 4130792 | CIF | C6 H8 Fe N8 Sr | P 1 21/n 1 | 7.4087; 7.5926; 10.7605 90; 90.336; 90 | 605.28 | Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L. Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue. Journal of the American Chemical Society, 2016, 138, 11121-11123 |
| 7226925 | CIF | C26 H14 F4 I2 N6 | P -1 | 6.6906; 9.568; 10.618 64.954; 79.728; 87.328 | 605.6 | Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B. Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding CrystEngComm, 2016, 18, 8631 |
| 1542677 | CIF | C16 H12 O3 | P -1 | 7.6359; 8.6199; 10.087 80.935; 79.666; 69.242 | 607.6 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
| 7154893 | CIF | C14 H11 N O2 S | P -1 | 8.1388; 9.6226; 9.754 117.197; 112.306; 92.1331 | 607.64 | Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones. Organic & biomolecular chemistry, 2016, 14, 2112-2120 |
| 7038537 | CIF | C6 H7 N O3 | P 21 21 21 | 6.841; 7.0291; 12.6402 90; 90; 90 | 607.82 | Lachowicz, J. I.; Nurchi, V. M.; Crisponi, G.; Jaraquemada-Pelaez, M G; Arca, M.; Pintus, A.; Santos, M. A.; Quintanova, C.; Gano, L.; Szewczuk, Z.; Zoroddu, M. A.; Peana, M.; Domínguez-Martín, A; Choquesillo-Lazarte, D Hydroxypyridinones with enhanced iron chelating properties. Synthesis, characterization and in vivo tests of 5-hydroxy-2-(hydroxymethyl)pyridine-4(1H)-one. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6517-6528 |
| 7224049 | CIF | C13 H11 Co N O6 | P -1 | 6.4032; 7.7936; 12.7782 74.095; 83.775; 84.04 | 607.82 | Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net CrystEngComm, 2016, 18, 2065 |
| 9017251 | CIF | Al2 Ca0.03 H14 Mn0.97 O16 P2 | P -1 | 10.049; 10.205; 6.083 91.79; 99.7; 98.02 | 607.921 | Mills, S. J.; Grey, I. E.; Kampf, A. R.; Birch, W. D.; Macrae, C. M.; Smith, J. B.; Keck, E. Kayrobertsonite, MnAl2(PO4)2(OH)2*6H2O, a new phosphate mineral related to nordgauite Note: T = 100 K European Journal of Mineralogy, 2016, 28, 649-654 |
| 7224113 | CIF | C14 H14 N2 O2 | P 1 21 1 | 7.5292; 5.7936; 13.9668 90; 93.766; 90 | 607.93 | Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar An efficient synthesis of N-nitrosamines under solvent, metal and acid free conditions using tert-butyl nitrite Green Chem., 2016, 18, 2323 |
| 7124736 | CIF | C14 H12 N2 O2 | P -1 | 6.0661; 7.8841; 12.8564 91.07; 94.098; 97.33 | 608.04 | Singh, RahulKumar Rajmani; Pawar, Samir Kundlik; Huang, Min-Jie; Liu, Rai-Shung Gold-catalyzed [3+2]-annulations of α-aryl diazonitriles with ynamides and allenamides to yield 1-amino-1H-indenes. Chemical communications (Cambridge, England), 2016, 52, 11434-11437 |
| 1540736 | CIF | C14 H12 N2 O2 | P 1 21/n 1 | 8.5418; 6.32; 11.847 90; 107.98; 90 | 608.3 | Ma, Xiaofeng; Sun, Rui; Cheng, Jinghui; Liu, Jiaoyan; Gou, Fei; Xiang, Haifeng; Zhou, Xiangge Fluorescence Aggregation-Caused Quenching versus Aggregation-Induced Emission: A Visual Teaching Technology for Undergraduate Chemistry Students Journal of Chemical Education, 2016, 93, 345 |
| 7038861 | CIF | C10 H8 N2 O2 S2 Sn | P -1 | 7.4019; 7.5564; 11.4734 88.006; 74.539; 79.608 | 608.3 | Karwasara, Surendar; Jha, Chandan Kumar; Sinhababu, Soumen; Nagendran, Selvarajan O,S-Heterocyclic stannylenes: synthesis and reactivity. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7200-7204 |
| 4037344 | CIF | C14 H16 O4 | P 1 21 1 | 6.4095; 13.267; 7.6203 90; 110.13; 90 | 608.4 | Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes. The Journal of organic chemistry, 2016, 81, 11017-11034 |
| 4513914 | CIF | C11 H13 N3 O2 S2 | P -1 | 6.3088; 9.4321; 11.166 92.623; 106.331; 105.543 | 609.02 | Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R. High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors. ACS combinatorial science, 2016 |
| 1542650 | CIF | C10 H4 Br F8 N O2 | P -1 | 6.1276; 8.3737; 12.5585 108.992; 90.118; 90.223 | 609.3 | Kaplan, Peter T.; Vicic, David A. Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks. Organic letters, 2016, 18, 884-886 |
| 7702094 | CIF | C6 H5 I O | P 1 21/c 1 | 14.306; 5.8675; 7.407 90; 101.04; 90 | 610.2 | Wegeberg, Christina; Frankær, Christian Grundahl; McKenzie, Christine J. Reduction of hypervalent iodine by coordination to iron(iii) and the crystal structures of PhIO and PhIO<sub>2</sub>. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17714-17722 |
| 7223923 | CIF | C16 H28 N10 O10 Zn | P -1 | 7.7881; 9.038; 9.1899 94.47; 107.49; 95.27 | 610.5 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 4032036 | CIF | C11 H11 F5 O3 S | P -1 | 8.4711; 8.8607; 8.9602 99.478; 110.838; 95.682 | 610.85 | Ponomarenko, Maksym V.; Grabowsky, Simon; Pal, Rumpa; Röschenthaler, Gerd-Volker; Fokin, Andrey A. SF5-Enolates in Ti(IV)-Mediated Aldol Reactions. The Journal of organic chemistry, 2016, 81, 6783-6791 |
| 7037268 | CIF | C2 K10 O6 Se6 Tl2 | P -1 | 7.2063; 8.6457; 10.6249 70.12; 88.516; 79.234 | 611.06 | Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S. Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5958-5967 |
| 7155262 | CIF | C13 H13 Cl O3 | P 1 21 1 | 7.1086; 6.9376; 12.442 90; 94.573; 90 | 611.6 | Subba Reddy, B. V.; Biradar, Dhanraj O.; Vikram Reddy, Y.; Yadav, J. S.; Singarapu, Kiran Kumar; Sridhar, B. Substitution dependent stereoselective construction of bicyclic lactones and its application to the total synthesis of pyranopyran, tetraketide and polyrhacitide A. Organic & biomolecular chemistry, 2016, 14, 8832-8837 |
| 7226930 | CIF | C27 H15 F4 I N6 O2 | P 1 | 6.658; 9.8155; 10.4663 65.256; 79.993; 84.833 | 611.63 | Perera, M. D.; Desper, J.; Sinha, A. S.; Aakeröy, C. B. Impact and importance of electrostatic potential calculations for predicting structural patterns of hydrogen and halogen bonding CrystEngComm, 2016, 18, 8631 |
| 7223757 | CIF | C14 H10 Li2 O6 | P 1 21/c 1 | 8.0703; 5.1497; 14.7759 90; 95.073; 90 | 611.68 | Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K. Coordination environments and π-conjugation in dense lithium coordination polymers CrystEngComm, 2016, 18, 398 |
| 7155283 | CIF | C15 H11 Br O2 | P -1 | 7.865; 8.607; 10.2615 92.788; 112.186; 105.046 | 612.75 | Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions. Organic & biomolecular chemistry, 2016, 14, 9874-9882 |
| 2108007 | CIF HKL Paper | C24 H16 F6 N2 O4 Zn | P -1 | 7.211; 8.9713; 10.9554 92.223; 106.931; 113.347 | 612.83 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 7224472 | CIF | C15 H11 F2 N O | P -1 | 6.816; 8.648; 10.567 91.038; 97.022; 96.93 | 613.3 | Pan, Gao-Fei; Su, Li; Zhang, Yan-Lei; Guo, Shi-Huan; Wang, Yong-Qiang Organocatalytic One-pot Asymmetric Synthesis of 2-Aryl-2,3-dihydro-4-quinolones RSC Adv., 2016 |
| 7223920 | CIF | C16 H28 Co N10 O10 | P -1 | 7.7702; 9.0412; 9.2461 94.47; 107.46; 95.08 | 613.5 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7235050 | CIF | C26 H26 Br2 N4 O2 | P -1 | 4.7412; 7.7243; 16.8734 95.985; 90.633; 92.942 | 613.68 | Wan Yue; Mark Nikolka; Mingfei Xiao; Aditya Sadhanala; Christian B. Nielsen; Andrew J. P. White; Hung-Yang Chen; Ada Onwubiko; Henning Sirringhaus; Iain McCulloch Azaisoindigo conjugated polymers for high performance n-type and ambipolar thin film transistor applications Journal of Materials Chemistry C, 2016, 4, 9704-9710 |
| 7124676 | CIF | C14 H11 N O3 | P 1 21 1 | 8.6028; 6.2292; 11.4861 90; 94.415; 90 | 613.7 | Vidal-Albalat, A; Swiderek, K.; Izquierdo, J.; Rodríguez, S; Moliner, V.; González, F V Catalytic enantioselective epoxidation of nitroalkenes. Chemical communications (Cambridge, England), 2016, 52, 10060-10063 |
| 1544927 | CIF | C H N O S | P -1 | 4.037; 10.599; 14.452 94.28; 95.46; 90.17 | 613.8 | Huang, Jun; Tang, Yumin; Gao, Ke; Liu, Feng; Guo, Han; Russell, Thomas P.; Yang, Tingbin; Liang, Yongye; Cheng, Xing; Guo, Xugang Head-to-Head Linkage Containing Dialkoxybithiophene-Based Polymeric Semiconductors for Polymer Solar Cells with Large Open-Circuit Voltages Macromolecules, 2016 |
| 7125203 | CIF | C23 H28 Cl N5 O4 S | P 1 | 5.94757; 9.5911; 11.4509 83.8975; 82.015; 71.9997 | 613.81 | Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu Hierarchical construction of SHG-active polar crystals by using multi-component crystals. Chemical communications (Cambridge, England), 2016, 52, 13710-13713 |
| 4036911 | CIF | C14 H16 N2 O | P -1 | 6.1867; 9.1457; 11.723 109.952; 90.003; 99.279 | 614.25 | García-Iriepa, Cristina; Ernst, Hanna A.; Liang, Yu; Unterreiner, Andreas-Neil; Frutos, Luis Manuel; Sampedro, Diego Study of Model Systems for Bilirubin and Bilin Chromophores: Determination and Modification of Thermal and Photochemical Properties. The Journal of organic chemistry, 2016, 81, 6292-6302 |
| 7226305 | CIF | Ag O7 Se2 Ta | C m c m | 10.7921; 7.8283; 7.2717 90; 90; 90 | 614.34 | Qian, Cheng; Kong, Fang; Mao, Jianggao A Series of New Silver Selenites with d0-TM Cations RSC Adv., 2016 |
| 4516608 | CIF | C12 H15 S Se2 | P -1 | 8.0883; 8.9204; 9.4575 71.489; 71.932; 86.925 | 614.39 | Debnath, Sashi; Chithiravel, Sundaresan; Sharma, Sagar; Bedi, Anjan; Krishnamoorthy, Kothandam; Zade, Sanjio S. Selenium-Containing Fused Bicyclic Heterocycle Diselenolodiselenole: Field Effect Transistor Study and Structure-Property Relationship. ACS applied materials & interfaces, 2016, 8, 18222-18230 |
| 1544774 | CIF HKL Paper | C16 H11 N3 O | P -1 | 6.6849; 8.9428; 10.7445 103.935; 95.015; 96.86 | 614.44 | Rida, Mohammed; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T. (3<i>Z</i>)-3-Benzylidene-1<i>H</i>-benzimidazo[1,2-<i>a</i>]imidazol-2(3<i>H</i>)-one IUCrData, 2016, 1, x161908 |
| 8106951 | CIF | C13 H14 N2 O2 S | P -1 | 4.8885; 10.3414; 12.6056 95.162; 97.487; 101.494 | 614.73 | Al-Wabli, Reem I.; Ghabbour, Hazem A.; Lahsasni, Siham; Al-Abdullah, Ebtehal S.; El-Emam, Ali A. Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 601-603 |
| 4037323 | CIF | C15 H20 O3 | P -1 | 6.7727; 8.6658; 10.6659 94.639; 90.573; 99.566 | 615.09 | Rycek, Lukas; Hayward, John J.; Latif, Marwa Abdel; Tanko, James; Simionescu, Razvan; Hudlicky, Tomas Chemoenzymatic Total Synthesis of Hydromorphone by an Oxidative Dearomatization/Intramolecular [4 + 2] Cycloaddition Sequence: A Second-Generation Approach. The Journal of organic chemistry, 2016, 81, 10930-10941 |
| 2311686 | CIF Paper | C5 H11 N O2 | P 1 21 1 | 9.6697; 5.2749; 12.063 90; 90.803; 90 | 615.23 | Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 160-163 |
| 4347298 | CIF | C8 H14 I N4 Pt | P 21 21 2 | 5.7631; 9.9725; 10.7081 90; 90; 90 | 615.42 | Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps. Inorganic chemistry, 2016, 55, 2620-2626 |
| 4348164 | CIF | C20 H24 N2 O17 Ti2 | P -1 | 8.10511; 8.15098; 9.90029 75.8518; 82.3596; 76.9343 | 615.706 | Assi, Hala; Pardo Pérez, Laura C; Mouchaham, Georges; Ragon, Florence; Nasalevich, Maxim; Guillou, Nathalie; Martineau, Charlotte; Chevreau, Hubert; Kapteijn, Freek; Gascon, Jorge; Fertey, Pierre; Elkaim, Erik; Serre, Christian; Devic, Thomas Investigating the Case of Titanium(IV) Carboxyphenolate Photoactive Coordination Polymers. Inorganic chemistry, 2016, 55, 7192-7199 |
| 7224082 | CIF | B3 Na2 O8 Sb | P 1 21/c 1 | 5.8278; 10.3521; 10.4775 90; 102.948; 90 | 616.04 | Yan, Dong; Hu, Chun-Li; Mao, Jiang-Gao A2SbB3O8(A = Na, K, Rb) and β-RbSbB2O6: two types of alkali boroantimonates with 3D anionic architectures composed of SbO6octahedra and borate groups CrystEngComm, 2016, 18, 1655 |
| 7118328 | CIF | C12 H10 N2 O4 S | P -1 | 6.8571; 8.4482; 11.3117 98.755; 106.766; 93.582 | 616.19 | Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari Very strong (-)N-X(+)(-)O-N(+) halogen bonds. Chemical communications (Cambridge, England), 2016, 52, 2338-2341 |
| 4086548 | CIF | C26 H42 B Fe N | P 1 | 7.3391; 9.4771; 9.9193 102.177; 103.396; 105.969 | 616.8 | Bhattacharjee, Hridaynath; Martell, Jonathon D.; Khozeimeh Sarbisheh, Elaheh; Sadeh, Saeid; Quail, J. Wilson; Müller, Jens Insight into the Formation of Highly Strained [1]Ferrocenophanes with Boron in Bridging Position Organometallics, 2016, 35, 2156 |
| 7226187 | CIF | C9 H7 N4 O7 Zn2 | P -1 | 7.794; 9.057; 9.169 90.38; 91.24; 107.59 | 616.8 | Jia, Jia; Xu, Jianing; Wang, Shengyan; Wang, Pengcheng; Gao, Lijuan; Chai, Juan; Shen, Lanlan; Chen, Xiaobo; Fan, Yong; Wang, Li Layer-structured coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: structure, sensitization of lanthanide(iii) cations and small-molecule sensing CrystEngComm, 2016, 18, 7126 |
| 1543889 | CIF HKL Paper | C13 H13 Cl N2 O | P -1 | 5.263; 9.782; 12.795 78.591; 80.188; 74.418 | 617.2 | Loganathan, C.; Ananad, S. Athavan Alias; Alphonsa, A. Therasa; Kabilan, S.; Selvanayagam, S. 4-Chloro-<i>N</i>-(isoquinolin-3-yl)butanamide IUCrData, 2016, 1, x161290 |
| 7223758 | CIF | C7 H5 Li O3 | P 1 21/c 1 | 8.0719; 5.1821; 14.8188 90; 94.926; 90 | 617.57 | Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K. Coordination environments and π-conjugation in dense lithium coordination polymers CrystEngComm, 2016, 18, 398 |
| 7118072 | CIF | C20 H18 Ag2 B2 F8 N6 | P -1 | 7.544; 8.109; 11.175 110.495; 99.22; 98.036 | 617.7 | Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I. Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities Med. Chem. Commun., 2016, 7, 282 |
| 7224316 | CIF | C14 H14 N3 O3 | P -1 | 6.9074; 8.6886; 10.502 85.367; 89.74; 79.832 | 618.3 | Das, Asish R.; Kausar, Nazia; Roy, Indranil; Chattopadhyay, Dipankar Synthesis of 2,3-dihydroquinazolinones and quinazolin-4(3H)-one catalyzed by Graphene Oxide nanosheets in aqueous medium: “on-water” synthesis accompanied by carbocatalysis and selective C-C bond cleavage RSC Adv., 2016 |
| 7226482 | CIF | C7 H5 N O2 | P 21 21 21 | 4.4436; 6.641; 20.957 90; 90; 90 | 618.4 | Singh, Anoop S.; Kumar, Dhananjay; Mishra, Nidhi; Tiwari, Vinod K. An efficient one-pot synthesis of N,N′-disubstituted ureas and carbamates from N-acylbenzotriazoles RSC Adv., 2016, 6, 84512 |
| 1561362 | CIF | Ag0.6 Ga La3 Se7 | P 63 | 10.5879; 10.5879; 6.3766 90; 90; 120 | 619.07 | Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 243, 221-231 |
| 7236311 | CIF | C6 H4 N8 O10 | P 1 21/n 1 | 7.6782; 10.4292; 8.3545 90; 112.18; 90 | 619.5 | Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M. N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials Journal of Materials Chemistry A, 2016, 4, 7430 |
| 4036703 | CIF | C18 H8 O2 S | P 1 21/c 1 | 10.6449; 3.7919; 15.6497 90; 101.161; 90 | 619.74 | Marshall, Jonathan L.; O'Neal, Nathaniel J; Zakharov, Lev N.; Haley, Michael M. Synthesis and Characterization of Two Unsymmetrical Indenofluorene Analogues: Benzo[5,6]-s-indaceno[1,2-b]thiophene and Benzo[5,6]-s-indaceno[2,1-b]thiophene. The Journal of organic chemistry, 2016, 81, 3674-3680 |
| 7226304 | CIF | Ag Nb O7 Se2 | C m c m | 10.813; 7.792; 7.363 90; 90; 90 | 620.4 | Qian, Cheng; Kong, Fang; Mao, Jianggao A Series of New Silver Selenites with d0-TM Cations RSC Adv., 2016 |
| 7225565 | CIF | C11 H11 O7 Zn | P -1 | 6.7184; 9.4772; 9.9727 94.5; 96.361; 98.937 | 620.44 | Wu, Yunlong; Yang, Guo-Ping; Liu, Jiao; Yan, Yangtian; Luan, Xinjun; Zhang, Wen-Yan; Wang, Yao-Yu Crystal structures from 1D to 3D: triggered by the different coordination morphologies of ligands in different reaction systems CrystEngComm, 2016, 18, 5901 |
| 4086360 | CIF | C7 H13 B Cl3 N Ti | P 1 21 1 | 6.6239; 12.6714; 7.725 90; 106.865; 90 | 620.5 | Chen, Yang; Fang, Xiangdong; Dan, Wenyan 1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization Organometallics, 2016, 35, 15 |
| 7055079 | CIF | C12 H11 Br N2 O2 | P -1 | 7.4955; 7.5254; 12.0645 80.285; 86.767; 67.729 | 620.7 | Zhang, Zhenfeng; Ma, Nana; Xuan, Xiaopeng An unusual CC⋯CO interaction in (Z)-3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates New J. Chem., 2016, 40, 85 |
| 1561364 | CIF | Cd Ga La3 Se7 | P 63 | 10.606; 10.606; 6.38 90; 90; 120 | 621.5 | Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 243, 221-231 |
| 7037314 | CIF | C14 H9 N3 S2 | P 1 21 1 | 10.853; 4.587; 12.513 90; 93.9; 90 | 621.5 | Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6136-6148 |
| 1542528 | CIF HKL | C14 H10 Cl N3 O | P -1 | 6.8759; 8.2563; 12.0403 109.156; 103.979; 91.485 | 622.41 | Bittencourt, Viviane C. D.; Almeida, Roberta M. F. C.; Bortoluzzi, Adailton J.; Gervini, Vanessa C.; de Oliveira, Adriano Bof (3<i>E</i>)-5-Chloro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one IUCrData, 2016, 1, x160258 |
| 4125093 | CIF | C7 H19 N6 P S | P -1 | 6.0072; 10.1348; 10.3082 90.002; 89.996; 83.296 | 623.29 | Transue, Wesley J.; Velian, Alexandra; Nava, Matthew; Martin-Drumel, Marie-Aline; Womack, Caroline C.; Jiang, Jun; Hou, Gao-Lei; Wang, Xue-Bin; McCarthy, Michael C.; Field, Robert W.; Cummins, Christopher C. A Molecular Precursor to Phosphaethyne and Its Application in Synthesis of the Aromatic 1,2,3,4-Phosphatriazolate Anion. Journal of the American Chemical Society, 2016, 138, 6731-6734 |
| 7055169 | CIF | C16 H24 Ag2 B2 F8 N8 O4 | P -1 | 7.9688; 9.2044; 9.3306 73.719; 76.471; 74.445 | 623.48 | Kalinowska-Lis, Urszula; Felczak, Aleksandra; Chęcińska, Lilianna; Małecka, Magdalena; Lisowska, Katarzyna; Ochocki, Justyn Influence of selected inorganic counter-ions on the structure and antimicrobial properties of silver(i) complexes with imidazole-containing ligands New J. Chem., 2016, 40, 694 |
| 1543209 | CIF | C26 H30 N4 S4 | P -1 | 8.5288; 8.7463; 9.9866 105.144; 93.192; 117.597 | 623.53 | Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; Skabara, Peter J. To bend or not to bend ‒ are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity? Mater. Horiz., 2016, 3, 333 |
| 7223921 | CIF | C16 H28 Mn N10 O10 | P -1 | 7.8231; 9.0961; 9.2962 94.66; 107.53; 95.54 | 623.6 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 1561363 | CIF | Ga La3 Se7 Zn | P 63 | 10.63; 10.63; 6.374 90; 90; 120 | 623.7 | Iyer, Abishek K.; Yin, Wenlong; Rudyk, Brent W.; Lin, Xinsong; Nilges, Tom; Mar, Arthur Metal ion displacements in noncentrosymmetric chalcogenides La3Ga1.67S7, La3Ag0.6GaCh7 (Ch=S, Se), and La3MGaSe7 (M=Zn, Cd) Journal of Solid State Chemistry, 2016, 243, 221-231 |
| 7118650 | CIF | C12 H2 Br2 F6 N2 | P 1 21/c 1 | 10.63; 4.7239; 12.695 90; 101.917; 90 | 623.74 | Bushuyev, Oleksandr S.; Tomberg, Anna; Vinden, Joanna R.; Moitessier, Nicolas; Barrett, Christopher J.; Friščić, Tomislav Azo⋯phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals Chemical Communications (Cambridge, United Kingdom), 2016, 52, 2103-2106 |
| 7118455 | CIF | C15 H13 N3 | P 1 21 1 | 7.982; 5.766; 13.788 90; 100.341; 90 | 624.3 | Jiang, Wei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Porphyrin-based mixed-valent Ag(I)/Ag(II) and Cu(I)/Cu(II) networks as efficient heterogeneous catalysts for the azide-alkyne "click" reaction and promising oxidation of ethylbenzene Chemical Communications (Cambridge, United Kingdom), 2016, 52, 1373-1376 |
| 4513920 | CIF | C20 H18 Cl4 N8 Pd2 | P -1 | 7.602; 8.298; 10.7372 99.281; 104.335; 102.182 | 624.94 | Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone ACS Catalysis, 2016, 6, 5535 |
| 7125215 | CIF | C24 H28 N4 O14 | P 1 | 5.0886; 7.2518; 17.1681 93.324; 93.952; 97.338 | 625.42 | Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization. Chemical communications (Cambridge, England), 2016, 52, 13452-13455 |
| 7225383 | CIF | C2 H Cl5 | P 1 21/n 1 | 9.4194; 11.22; 6.379 90; 111.75; 90 | 626.2 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Halogen and hydrogen bonds in compressed pentachloroethane CrystEngComm, 2016, 18, 5393 |
| 7154822 | CIF | C12 H14 N2 O3 S | P -1 | 8.3507; 8.6494; 9.0014 79.307; 84.564; 79.146 | 626.23 | Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xu, Hua-Dong Facile synthesis of aza-spirocyclopropanyl oxindoles by the reaction of 3-(2-bromoethyl)-indole with 2,3-dimethylimidazole-1-sulfonyl azide triflate. Organic & biomolecular chemistry, 2016, 14, 1272-1276 |
| 4344686 | CIF | Al O8 Te2 V | P 1 21/n 1 | 7.9351; 4.8413; 16.342 90; 93.72; 90 | 626.47 | Bae, Su-Whan; Yoo, Jisun; Lee, Suheon; Choi, Kwang Yong; Ok, Kang Min Synthesis and Characterization of Three New Layered Vanadium Tellurites, MVTe2O8 (M = Al, Ga, and Mn): Three-Dimensional (3-D) Antiferromagnetic Behavior of MnVTe2O8 with a Zigzag S = 2 Spin Chain. Inorganic chemistry, 2016, 55, 1347-1353 |
| 1555540 | CIF | C17 H11 N O | P -1 | 3.991; 10.967; 15.118 73.536; 86.417; 81.507 | 627.5 | Wang, Lianjie; Liu, Xiaocui; Wang, Mang; Liu, Jun Copper(I)-Catalyzed Heterocyclization of α-Acyl-α-alkynyl Ketene Dithioacetals: Synthesis of 3-Cyanofurans. Organic letters, 2016, 18, 2162-2165 |
| 4003325 | CIF | B Br2 O3 Rb Zn2 | R 3 2 :H | 4.982; 4.982; 29.2 90; 90; 120 | 627.7 | Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials, 2016, 28, 9122 |
| 4348822 | CIF | C12 Co O26 U2 | P -1 | 6.885; 8.5229; 11.384 95.411; 90.8; 108.87 | 628.59 | Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process. Inorganic chemistry, 2016, 55, 10453-10466 |
| 4130602 | CIF | C16 H10 N2 O4 | P 1 21/c 1 | 4.6215; 8.019; 17.024 90; 93.99; 90 | 629.4 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons. Journal of the American Chemical Society, 2016, 138, 13561-13567 |
| 8106833 | CIF | C3 H2 Na O7 Zn | P 1 21/c 1 | 5.8671; 15.661; 6.9649 90; 100.343; 90 | 629.6 | Zhou, Fang-Xia Crystal structure of poly[(di-μ2-aqua-κ2 O:O)bis(μ5-oxalato-1:2κ2 O 1; 1κ1 O 2; 3:4:5κ3 O 3; 3κ1 O 4)(μ4-oxalato-1:2κ2 O 1; 2:3κ2 O 2; 3:4κ2 O 3; 4:1κ2 O 4)dizinc(II)disodium(I)] Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 225-226 |
| 7235113 | CIF | Ba Cu3 D2 O10 V2 | P 31 2 1 | 5.917849; 5.917849; 20.75995 90; 90; 120 | 629.629 | David Boldrin; Kevin Knight; Andrew S. Wills Orbital frustration in the S = 1/2 kagome magnet vesignieite, BaCu3V2O8(OH)2 Journal of Materials Chemistry C, 2016, 4, 10315-10322 |
| 4088692 | CIF | C4 H24 B9 N | P 1 21 1 | 6.4166; 10.3935; 9.5956 90; 100.278; 90 | 629.67 | Tanaka, Naoki; Shoji, Yoshiaki; Fukushima, Takanori Convenient Route to Monocarba-closo-dodecaborate Anions Organometallics, 2016, 35, 2022 |
| 7055190 | CIF | C28 H12 F6 N4 S4 | P -1 | 5.0599; 6.4683; 20.014 93.915; 97.142; 102.709 | 630.93 | Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives New J. Chem., 2016, 40, 1403 |
| 7226702 | CIF | C28 H28 Co N2 O6 | P -1 | 6.246; 9.551; 11.301 97.11; 96.87; 106.95 | 631.3 | Asgharpour, Zeinab; Farzaneh, Faezeh; Abbasi, Alireza Synthesis, characterization and immobilization of a new cobalt (II) complex on modified magnetic nanoparticles as catalyst for epoxidation of alkenes and oxidation of activated alkanes RSC Adv., 2016 |
| 7038684 | CIF | C12 H6 F6 N4 | P -1 | 4.6634; 11.6504; 13.1188 113.797; 93.861; 100.985 | 631.9 | Kottelat, E.; Ruggi, A.; Zobi, F. Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6920-6927 |
| 1554019 | CIF | C11 H12 F6 N P | P -1 | 6.9573; 8.2064; 11.7459 78.273; 85.744; 74.308 | 632.02 | Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797 |
| 7226438 | CIF | C6 H4 N8 O10 | P -1 | 7.743; 8.302; 10.605 85.5; 78.807; 71.153 | 632.8 | Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole RSC Adv., 2016 |
| 1555682 | CIF | C13 H17 Br O3 | P 1 21 1 | 5.804; 7.1933; 15.2241 90; 94.904; 90 | 633.28 | Bender, Trandon A.; Dabrowski, Jennifer A.; Zhong, Hongyu; Gagné, Michel R Diastereoselective B(C6F5)3-Catalyzed Reductive Carbocyclization of Unsaturated Carbohydrates. Organic letters, 2016, 18, 4120-4123 |
| 4346815 | CIF | C26 H22 Cl2 Ir N6 | P -1 | 6.0663; 10.5287; 11.1541 68.627; 79.836; 73.321 | 633.44 | Pramanik, Shuvam; Roy, Sima; Ghorui, Tapas; Ganguly, Sanjib; Pramanik, Kausikisankar Iridium(III) Mediated Reductive Transformation of Closed-Shell Azo-Oxime to Open-Shell Azo-Imine Radical Anion: Molecular and Electronic Structure, Electron Transfer, and Optoelectronic Properties. Inorganic chemistry, 2016, 55, 1461-1468 |
| 4031991 | CIF | C26 H41 N O4 S | P 1 | 5.8864; 9.254; 12.6617 104.549; 95.9357; 105.233 | 633.46 | Trost, Barry M.; Ryan, Michael C.; Rao, Meera Chiral cyclopentadienylruthenium sulfoxide catalysts for asymmetric redox bicycloisomerization. Beilstein journal of organic chemistry, 2016, 12, 1136-1152 |
| 4086541 | CIF | C10 H9 Co F6 N3 P | P -1 | 6.3656; 8.237; 12.7564 105.592; 98.174; 93.475 | 634.27 | Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate) Organometallics, 2016, 35, 2101 |
| 4037413 | CIF | C12 H11 N2 O4 P | P -1 | 7.112; 8.573; 10.427 93.082; 90.137; 91.869 | 634.5 | Chaturvedi, Atul Kumar; Kant, Ruchir; Rastogi, Namrata Access to the Phosphorylindenopyrazole Scaffold via a Metal-Free Domino Reaction of Diazoalkylphosphonates with 3-Bromophthalides. The Journal of organic chemistry, 2016, 81, 11291-11296 |
| 7055711 | CIF | C22 H20 Cu3 N6 O12 | P -1 | 6.539; 8.752; 12.35 97.275; 101.14; 110.523 | 634.8 | Shang, Di; Ni, Jue chen; Gao, Xin Yu; Li, Cheng Ren; Lin, Xiao Meng; Wang, Zhi Nan; Du, Ning; Li, Shuang; Xing, Yong Heng The various structures of complexes fabricated with transition metal and triazole ligands and inhibiting effect on luminescent xanthine New J. Chem., 2016 |
| 7225231 | CIF | C14 H17 N O3 | P 1 c 1 | 5.9545; 10.629; 10.1521 90; 98.878; 90 | 634.83 | Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide RSC Adv., 2016 |
| 4344750 | CIF | Cu4 O17 P4 Sr Ti | P 4 21 2 | 9.5182; 9.5182; 7.0087 90; 90; 90 | 634.96 | Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr). Inorganic chemistry, 2016, 55, 1002-1004 |
| 7118701 | CIF | C8 H6 I2 S4 | P 1 21/n 1 | 6.2612; 15.4368; 6.6118 90; 96.285; 90 | 635.21 | Jeannin, Olivier; Canadell, Enric; Auban-Senzier, Pascale; Fourmigué, Marc Correlating conduction properties with the molecular symmetry: segregation of Z and E isomers in the charge-assisted, halogen-bonded cocrystal [(Z,E)-Me2I2TTF]2Br. Chemical communications (Cambridge, England), 2016, 52, 308-311 |
| 7038845 | CIF | O14 P2 Sr2 Te2 Zn3 | P 1 21/c 1 | 5.248; 7.895; 15.336 90; 90.409; 90 | 635.4 | Xia, Mingjun; Li, R. K. Structural variety in zinc telluro-phosphates: syntheses, crystal structures and characterizations of Sr2Zn3Te2P2O14, Pb2Zn3Te2P2O14 and Ba2Zn2TeP2O11. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7492-7499 |
| 4349229 | CIF | C6 H14 N5 O10 | P 3 1 c | 10.0857; 10.0857; 7.2134 90; 90; 120 | 635.45 | Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings. Inorganic chemistry, 2016, 55, 11593-11599 |
| 7225769 | CIF | C16 H16 N2 O | P -1 | 8.5162; 8.7051; 9.9918 88.828; 73.814; 64.126 | 635.66 | Wu, Chun-Ku; Yang, Ding-Yah Visible-Light-Mediated Reaction: Synthesis of Quinazolinones from 1,2-Dihydroquinazoline 3-Oxides RSC Adv., 2016 |
| 1554089 | CIF | C20 H26 Cl6 O4 Sb | P -1 | 7.1982; 9.042; 10.639 93.52; 96.36; 111.59 | 636 | Navale, Tushar S.; Talipov, Marat R.; Shukla, Ruchi; Rathore, Rajendra Interplay between Entropy and Enthalpy in (Intramolecular) Cyclophane-Like Folding versus (Intermolecular) Dimerization of Diarylalkane Cation Radicals The Journal of Physical Chemistry C, 2016, 120, 19558 |
| 1555798 | CIF | C17 H13 N O2 | P -1 | 8.338; 8.477; 9.528 93.456; 101.166; 104.331 | 636 | Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones. Organic letters, 2016, 18, 5232-5235 |
| 7223724 | CIF | C16 H15 N O3 | P -1 | 8.6; 8.6685; 9.647 101.959; 106.112; 105.087 | 636.12 | Saritemur, Gizem; Nomen Miralles, Laura; Husson, Deborah; Pitak, Mateusz B.; Coles, Simon J.; Wallis, John D. Two modes of peri-interaction between an aldehyde group and a carboxylate anion in naphthalaldehydate salts CrystEngComm, 2016, 18, 948 |
| 4348770 | CIF | C18 H22 Br4 Hg2 N2 O2 S2 | P -1 | 7.8355; 8.2825; 11.0954 73.249; 74.239; 70.168 | 636.421 | Seo, Sujin; Ju, Huiyeong; Kim, Seulgi; Park, In-Hyeok; Lee, Eunji; Lee, Shim Sung Group 12 Metal Complexes of an 18-Membered N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> Macrocycle Incorporating Two Pyridines: First Examples of an Infinite Mercury(I) Complex and a Dumbbell-Shaped Heteronuclear Complex with a Macrocyclic Ligand. Inorganic chemistry, 2016, 55, 11028-11039 |
| 1542533 | CIF | C28 H32 O4 S2 | P -1 | 6.0485; 6.9813; 15.2806 94.625; 94.955; 95.942 | 636.76 | Wang, Xiao-Ye; Zhang, Meng-Wen; Zhuang, Fang-Dong; Wang, Jie-Yu; Pei, Jian Lactone-fused electron-deficient building blocks for n-type polymer field-effect transistors: synthesis, properties, and impact of alkyl substitution positions Polym. Chem., 2016, 7, 2264 |
| 8106911 | CIF | C13 H14 O2 S2 | P -1 | 8.097; 8.8152; 9.8217 76.269; 69.539; 82.065 | 636.87 | Mabkhot, Yahia N.; Barakat, Assem; Al-Showiman, Salim S.; Soliman, Saied M.; Frey, Wolfgang; Ghabbour, Hazem A. Crystal structure of 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione, C13H14O2S2 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 473-474 |
| 7225667 | CIF | C13 H11 Cl2 N O4 | P -1 | 3.8653; 11.5522; 14.4711 98.976; 93.377; 91.025 | 636.91 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
| 1564815 | CIF | C6 H26 Ag4 N2 O21 P6 | P -1 | 7.5806; 8.4946; 10.1092 81.087; 88.356; 82.132 | 637.04 | Somov, N.V.; Chausov, F.F. Synthesis and Structure of New Light-Resistant Bactericide Bis(nitrilotrismethylenephosphonato)diaquatetrasilver Monohydrate {Ag4[NH(CH2PO3H)3]2(H2O)2} H2O Crystallography Reports, 2016, 61, 39-43 |
| 7038843 | CIF | O14 P2 Pb2 Te2 Zn3 | P 1 21/c 1 | 5.2722; 7.9432; 15.213 90; 90.058; 90 | 637.09 | Xia, Mingjun; Li, R. K. Structural variety in zinc telluro-phosphates: syntheses, crystal structures and characterizations of Sr2Zn3Te2P2O14, Pb2Zn3Te2P2O14 and Ba2Zn2TeP2O11. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7492-7499 |
| 4513955 | CIF | C16 H15 N O | P 1 | 4.6759; 11.637; 12.148 101.704; 94.481; 97.981 | 637.1 | Hu, Yue; Shen, Zhiqiang; Huang, Hanmin Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride ACS Catalysis, 2016, 6, 6785 |
| 7227150 | CIF | C4 H4 Mn O6 | C 1 2/c 1 | 13.4976; 7.1793; 7.8799 90; 123.405; 90 | 637.44 | Hendon, Christopher H.; Pradaux-Caggiano, Fabienne; Hatcher, Lauren E.; Gee, William J.; Wilson, Chick C.; Butler, Keith T.; Carbery, David R.; Walsh, Aron; Melot, Brent C. Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate. Physical chemistry chemical physics : PCCP, 2016, 18, 33329-33334 |
| 4344687 | CIF | Ga O8 Te2 V | P 1 21/n 1 | 7.9198; 4.9169; 16.4311 90; 93.816; 90 | 638.42 | Bae, Su-Whan; Yoo, Jisun; Lee, Suheon; Choi, Kwang Yong; Ok, Kang Min Synthesis and Characterization of Three New Layered Vanadium Tellurites, MVTe2O8 (M = Al, Ga, and Mn): Three-Dimensional (3-D) Antiferromagnetic Behavior of MnVTe2O8 with a Zigzag S = 2 Spin Chain. Inorganic chemistry, 2016, 55, 1347-1353 |
| 7225382 | CIF | C2 H Cl5 | P 1 21/n 1 | 9.519; 11.3199; 6.393 90; 111.78; 90 | 639.7 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej Halogen and hydrogen bonds in compressed pentachloroethane CrystEngComm, 2016, 18, 5393 |
| 7154986 | CIF | C18 H14 B N | P 1 21 1 | 7.5827; 5.8864; 14.3622 90; 93.408; 90 | 639.92 | van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S. Innocent BN bond substitution in anthracene derivatives. Organic & biomolecular chemistry, 2016, 14, 3256-3263 |
| 7224724 | CIF | C12 H14 Br2 N2 | P 1 21/c 1 | 5.947; 8.068; 13.411 90; 95.94; 90 | 640 | Anioła, Michalina; Katrusiak, Andrzej Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide CrystEngComm, 2016, 18, 3223 |
| 1543505 | CIF HKL Paper | C12 H6 Br2 N4 S | P -1 | 7.1617; 7.2787; 14.4257 77.0382; 78.7453; 61.5479 | 640.88 | Becker, Lisanne; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe A second polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole IUCrData, 2016, 1, x160960 |
| 2020558 | CIF HKL | C10 H17 N3 O3 S | P -1 | 8.209; 9.1804; 9.5617 65.128; 83.198; 78.854 | 640.9 | Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C, 2016, 72 |
| 7223614 | CIF | C5 H4 I N O | P 1 21/n 1 | 8.3971; 8.3248; 9.1806 90; 91.672; 90 | 641.49 | Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C‒I⋯−O‒N+halogen bond by host‒guest complexation CrystEngComm, 2016, 18, 793 |
| 1544779 | CIF HKL Paper | C5 H3 Br N4 | P 1 21/n 1 | 3.9511; 14.3306; 11.367 90; 94.574; 90 | 641.57 | Gilandoust, Maryam; Harsha, K. B.; Madan Kumar, S.; Rakesh, K. S.; Lokanath, N. K.; Byrappa, K.; Rangappa, K. S. 5-Bromo-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine IUCrData, 2016, 1, x161944 |
| 1543862 | CIF | C5 H11 N O2 | P 1 21 1 | 9.6123; 5.1222; 13.183 90; 98.609; 90 | 641.77 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 7225299 | CIF | C5 H7 N9 O10 | P -1 | 6.0529; 9.9796; 11.0845 77.305; 82.986; 80.736 | 642.06 | Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun Oxygen-rich anion based energetic salts with high detonation performances RSC Adv., 2016 |
| 1544861 | CIF | As2 Fe1.38 H16 O16 Zn1.62 | C 1 2/m 1 | 10.3417; 13.4837; 4.7756 90; 105.306; 90 | 642.31 | Yoshiasa, A.; Miyano, Y.; Isobe, H.; Sugiyama, K.; Arima, H.; Nakatsuka, A.; Momma, K.; Miyawaki, R. Structural refinement of kottigite-parasymplesite solid solution: Unique cation site occupancy and chemical bonding with water molecules Journal of Mineralogical and Petrological Sciences, 2016, 111, 363-369 |
| 4036586 | CIF | C13 H9 F3 N2 O2 | P 1 21 1 | 8.6828; 6.4475; 11.5604 90; 96.958; 90 | 642.41 | Lou, Hengqiao; Wang, Yongtao; Jin, Enze; Lin, Xufeng Organocatalytic Asymmetric Synthesis of Dihydrobenzoxazinones Bearing Trifluoromethylated Quaternary Stereocenters. The Journal of organic chemistry, 2016, 81, 2019-2026 |
| 7236199 | CIF | C20 H24 B2 N8 O8.5 | P -1 | 8.528; 8.711; 9.661 109.74; 94.47; 104.78 | 642.5 | TalwelkarShimpi, Mayura; Öberg, Sven; Giri, Lopamudra; Pedireddi, V. R. Experimental and theoretical studies of molecular complexes of theophylline with some phenylboronic acids RSC Advances, 2016, 6, 43060 |
| 7039793 | CIF | C13 H12 N2 O S2 | P -1 | 6.0928; 8.8375; 12.646 89.795; 84.279; 71.621 | 642.7 | Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy Half-sandwich RuCl2(η(6)-p-cymene) core complexes containing sulfur donor aroylthiourea ligands: DNA and protein binding, DNA cleavage and cytotoxic studies. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12518-12531 |
| 1542606 | CIF | C24 H38 Cl4 Rh2 | P -1 | 8.2993; 8.9088; 9.3961 102.335; 106.607; 94.5603 | 643 | Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F. Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives Chem. Sci., 2016, 7, 3780 |
| 7155083 | CIF | C11 H16 N2 O6 S | P 1 21 1 | 5.813; 9.696; 11.51 90; 97.53; 90 | 643.1 | Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation. Organic & biomolecular chemistry, 2016, 14, 5032-5048 |
| 3500039 | CIF HKL | C4 H5 Ca O6 | P 21 21 21 | 6.86394; 7.76619; 12.06935 90; 90; 90 | 643.377 | Armel Le Bail Calcium tartrate anhydrous form I Personal communication to COD, 2016 |
| 4037342 | CIF | C14 H18 O5 | P 1 21 1 | 8.2257; 8.6177; 9.4412 90; 105.591; 90 | 644.63 | Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes. The Journal of organic chemistry, 2016, 81, 11017-11034 |
| 7039849 | CIF | Ba In2 Nd2 Se7 | P b a m | 12.1358; 12.851; 4.1363 90; 90; 90 | 645.09 | Yin, Wenlong; Iyer, Abishek K.; Lin, Xinsong; Li, Chao; Yao, Jiyong; Mar, Arthur Quaternary chalcogenides BaRE2In2Ch7 (RE = La-Nd; Ch = S, Se) containing InCh5 trigonal bipyramids. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12329-12337 |
| 1555766 | CIF | C13 H13 Br N2 O3 | P -1 | 8.296; 8.793; 10.13 100.061; 106.015; 108.472 | 645.2 | Yang, Changjiang; Liu, Wei; He, Zijian; He, Zhengjie Divergent Reactivity of Nitrocyclopropanes with Huisgen Zwitterions and Facile Syntheses of 3-Alkoxy Pyrazolines and Pyrazoles. Organic letters, 2016, 18, 4936-4939 |
| 1561555 | CIF | C13 H11 Cd N O7 | P -1 | 7.914; 9.2739; 10.3051 70.95; 74.538; 66.084 | 645.59 | Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks Journal of Solid State Chemistry, 2016, 237, 313-322 |
| 7225442 | CIF | C10 H13 Cl N2 O3 S | P 1 21 1 | 6.104; 8.9243; 12.0304 90; 99.516; 90 | 646.33 | Zakharov, B. A.; Goryainov, S. V.; Boldyreva, E. V. Unusual seeding effect in the liquid-assisted high-pressure polymorphism of chlorpropamide CrystEngComm, 2016, 18, 5423 |
| 4347785 | CIF | C6 H12 N4 O8 Si | P -1 | 7.224; 7.411; 12.281 83.53; 87.158; 81.859 | 646.34 | Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives. Inorganic chemistry, 2016, 55, 4683-4692 |
| 4089109 | CIF | C5 H6 Au Cl2 N11 | P -1 | 7.3637; 7.9901; 11.2943 93.039; 101.379; 95.607 | 646.56 | Schuh, Esther; Werner, Svenja; Otte, Daniela; Monkowius, Uwe; Mohr, Fabian A Neutral, Carbene-Stabilized Gold(III) Triazide Organometallics, 2016, 35, 3448 |
| 7235118 | CIF | K O15 P5 Pb2 | P 1 n 1 | 8.5207; 7.1635; 10.6027 90; 90.882; 90 | 647.09 | Maierhaba Abudoureheman; Shujuan Han; Bing-Hua Lei; Zhihua Yang; Xifa Long; Shilie Pan KPb2(PO3)5: a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge Journal of Materials Chemistry C, 2016, 4, 10630-10637 |
| 2020560 | CIF HKL | C11 H17 N3 O3 S | P -1 | 6.7673; 9.9189; 10.4097 82.868; 74.093; 74.741 | 647.3 | Hützler, Wilhelm Maximilian; Egert, Ernst; Bolte, Michael 6-Propyl-2-thiouracil <i>versus</i> 6-methoxymethyl-2-thiouracil: enhancing the hydrogen-bonded synthon motif by replacement of a methylene group with an O atom Acta Crystallographica Section C, 2016, 72 |
| 1555653 | CIF | C14 H13 N3 O S | P -1 | 5.6316; 8.8731; 13.3605 76.69; 87.767; 85.418 | 647.47 | Bongers, Amanda; Ranasinghe, Indee; Lemire, Philippe; Perozzo, Alyssa; Vincent-Rocan, Jean-François; Beauchemin, André M Synthesis of Cyclic Azomethine Imines by Cycloaddition Reactions of N-Isocyanates and N-Isothiocyanates. Organic letters, 2016, 18, 3778-3781 |
| 7118317 | CIF | C11 H12 N6 O2 | P 1 | 7; 7.1645; 13.4574 94.095; 93.302; 105.223 | 647.52 | Pathigoolla, Atchutarao; Sureshan, Kana M. The topochemical synthesis of triazole-linked homobasic DNA. Chemical communications (Cambridge, England), 2016, 52, 886-888 |
| 7154853 | CIF | C15 H20 O2 | P -1 | 7.4631; 8.1068; 10.7071 89.047; 89.71; 89.044 | 647.61 | Lloyd, Matthew G.; D'Acunto, Mariantonietta; Taylor, Richard J. K.; Unsworth, William P. A selective C-H insertion/olefination protocol for the synthesis of α-methylene-γ-butyrolactone natural products. Organic & biomolecular chemistry, 2016, 14, 1641-1645 |
| 4031869 | CIF | C16 H13 N O2 | P -1 | 7.9139; 8.2369; 11.5044 76.314; 85.795; 62.838 | 647.76 | Pan, Shanfei; Wu, Feifei; Yu, Ruicheng; Chen, Wanzhi Palladium-Catalyzed Sequential Acylation/Cyanation of Aryl Iodides: A Regiospecific Synthesis of 2-Cyanoaryl Ketones. The Journal of organic chemistry, 2016, 81, 1558-1564 |
| 7037527 | CIF | C16 H14 F2 N2 | P -1 | 5.633; 10.581; 11.33 97.097; 103.762; 92.953 | 648.6 | Wang, Wei; Meng, Wei; Du, Haifeng B(C6F5)3-catalyzed metal-free hydrogenation of 3,6-diarylpyridazines. Dalton transactions (Cambridge, England : 2003), 2016, 45, 5945-5948 |
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